(2S,3S)-4-(azepan-1-ium-1-yl)-2-(4-methylphenyl)-3-phenoxy-butan-2-ol

Systemtic Name: (2S,3S)-4-(azepan-1-ium-1-yl)-2-(4-methylphenyl)-3-phenoxy-butan-2-ol Openeye Name: (2S,3S)-4-(azepan-1-ium-1-yl)-3-phenoxy-2-(p-tolyl)butan-2-ol CAS Name: (2S,3S)-4-(1-azepan-1-iumyl)-2-(4-methylphenyl)-3-phenoxy-2-butanol IUPAC Name: (2S,3S)-4-(azepan-1-ium-1-yl)-2-(4-methylphenyl)-3-phenoxybutan-2-ol Traditional Name: (2S,3S)-4-(azepan-1-ium-1-yl)-3-phenoxy-2-(p-tolyl)butan-2-ol Formula: C23H32NO2+ MolecularWeight: 354.50568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)(C(C[NH+]2CCCCCC2)OC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@@](C)([C@H](C[NH+]2CCCCCC2)OC3=CC=CC=C3)O

InChI

InChI=1S/C23H31NO2/c1-19-12-14-20(15-13-19)23(2,25)22(26-21-10-6-5-7-11-21)18-24-16-8-3-4-9-17-24/h5-7,10-15,22,25H,3-4,8-9,16-18H2,1-2H3/p+1/t22-,23-/m0/s1