[(3aR,8aR,9aR)-5,8a-dimethyl-2-oxidanylidene-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-3-yl]methyl-[2-[4-(4-methoxyphenyl)-2,2-dimethyl-oxan-4-yl]ethyl]azanium chloride

Systemtic Name: [(3aR,8aR,9aR)-5,8a-dimethyl-2-oxidanylidene-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-3-yl]methyl-[2-[4-(4-methoxyphenyl)-2,2-dimethyl-oxan-4-yl]ethyl]azanium chloride Openeye Name: [(3aR,8aR,9aR)-5,8a-dimethyl-2-oxo-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-3-yl]methyl-[2-[4-(4-methoxyphenyl)-2,2-dimethyl-tetrahydropyran-4-yl]ethyl]ammonium chloride CAS Name: [(3aR,8aR,9aR)-5,8a-dimethyl-2-oxo-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-3-yl]methyl-[2-[4-(4-methoxyphenyl)-2,2-dimethyl-4-oxanyl]ethyl]ammonium chloride IUPAC Name: [(3aR,8aR,9aR)-5,8a-dimethyl-2-oxo-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-3-yl]methyl-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]azanium chloride Traditional Name: [(3aR,8aR,9aR)-2-keto-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-3-yl]methyl-[2-[4-(4-methoxyphenyl)-2,2-dimethyl-tetrahydropyran-4-yl]ethyl]ammonium chloride Formula: C31H46ClNO4 MolecularWeight: 532.15424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC3C(CC2(CCC1)C)OC(=O)C3C[NH2+]CCC4(CCOC(C4)(C)C)C5=CC=C(C=C5)OC.[Cl-]

Isomeric SMILES

CC1=C2C[C@H]3[C@@H](C[C@]2(CCC1)C)OC(=O)C3C[NH2+]CCC4(CCOC(C4)(C)C)C5=CC=C(C=C5)OC.[Cl-]

InChI

InChI=1S/C31H45NO4.ClH/c1-21-7-6-12-30(4)18-27-24(17-26(21)30)25(28(33)36-27)19-32-15-13-31(14-16-35-29(2,3)20-31)22-8-10-23(34-5)11-9-22;/h8-11,24-25,27,32H,6-7,12-20H2,1-5H3;1H/t24-,25?,27-,30-,31?;/m1./s1