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

Systemtic Name: (1S,2S)-3-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)-1-(4-methylphenyl)-2-phenyl-propan-1-ol Openeye Name: (1S,2S)-3-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)-2-phenyl-1-(p-tolyl)propan-1-ol CAS Name: (1S,2S)-3-(1-azepan-1-iumyl)-1-(4-methoxyphenyl)-1-(4-methylphenyl)-2-phenyl-1-propanol IUPAC Name: (1S,2S)-3-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)-1-(4-methylphenyl)-2-phenylpropan-1-ol Traditional Name: (1S,2S)-3-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)-2-phenyl-1-(p-tolyl)propan-1-ol Formula: C29H36NO2+ MolecularWeight: 430.60164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C(C[NH+]3CCCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@](C2=CC=C(C=C2)OC)([C@H](C[NH+]3CCCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C29H35NO2/c1-23-12-14-25(15-13-23)29(31,26-16-18-27(32-2)19-17-26)28(24-10-6-5-7-11-24)22-30-20-8-3-4-9-21-30/h5-7,10-19,28,31H,3-4,8-9,20-22H2,1-2H3/p+1/t28-,29+/m1/s1