(1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-butoxyphenyl)-1-(3-methylphenyl)-2-phenyl-propan-1-ol

Systemtic Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-butoxyphenyl)-1-(3-methylphenyl)-2-phenyl-propan-1-ol Openeye Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-butoxyphenyl)-1-(m-tolyl)-2-phenyl-propan-1-ol CAS Name: (1R,2S)-3-(1-azepan-1-iumyl)-1-(4-butoxyphenyl)-1-(3-methylphenyl)-2-phenyl-1-propanol IUPAC Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-butoxyphenyl)-1-(3-methylphenyl)-2-phenylpropan-1-ol Traditional Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-butoxyphenyl)-1-(m-tolyl)-2-phenyl-propan-1-ol Formula: C32H42NO2+ MolecularWeight: 472.68138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C2=CC=CC(=C2)C)(C(C[NH+]3CCCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@@](C2=CC=CC(=C2)C)([C@H](C[NH+]3CCCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C32H41NO2/c1-3-4-23-35-30-19-17-28(18-20-30)32(34,29-16-12-13-26(2)24-29)31(27-14-8-7-9-15-27)25-33-21-10-5-6-11-22-33/h7-9,12-20,24,31,34H,3-6,10-11,21-23,25H2,1-2H3/p+1/t31-,32-/m1/s1