(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)methyl-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]azanium

Systemtic Name: (3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)methyl-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]azanium Openeye Name: (3-chloro-4-isopropoxy-5-methoxy-phenyl)methyl-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]ammonium CAS Name: (3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]ammonium IUPAC Name: (3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]azanium Traditional Name: (3-chloro-4-isopropoxy-5-methoxy-benzyl)-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]ammonium Formula: C23H31ClNO4+ MolecularWeight: 420.94954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)C[NH2+]CC3=CC(=C(C(=C3)Cl)OC(C)C)OC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)C[NH2+]CC3=CC(=C(C(=C3)Cl)OC(C)C)OC

InChI

InChI=1S/C23H30ClNO4/c1-6-27-20-10-17-7-15(4)29-21(17)11-18(20)13-25-12-16-8-19(24)23(28-14(2)3)22(9-16)26-5/h8-11,14-15,25H,6-7,12-13H2,1-5H3/p+1/t15-/m0/s1