(4-ethoxy-3-methoxy-phenyl)methyl-[2-[(2R,4R)-4-(4-methylphenyl)-2-propan-2-yl-oxan-4-yl]ethyl]azanium

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-[2-[(2R,4R)-4-(4-methylphenyl)-2-propan-2-yl-oxan-4-yl]ethyl]azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-[2-[(2R,4R)-2-isopropyl-4-(p-tolyl)tetrahydropyran-4-yl]ethyl]ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-[2-[(2R,4R)-4-(4-methylphenyl)-2-propan-2-yl-4-oxanyl]ethyl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-[2-[(2R,4R)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-[2-[(2R,4R)-2-isopropyl-4-(p-tolyl)tetrahydropyran-4-yl]ethyl]ammonium Formula: C27H40NO3+ MolecularWeight: 426.6114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH2+]CCC2(CCOC(C2)C(C)C)C3=CC=C(C=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH2+]CC[C@]2(CCO[C@H](C2)C(C)C)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C27H39NO3/c1-6-30-24-12-9-22(17-25(24)29-5)19-28-15-13-27(23-10-7-21(4)8-11-23)14-16-31-26(18-27)20(2)3/h7-12,17,20,26,28H,6,13-16,18-19H2,1-5H3/p+1/t26-,27-/m1/s1