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

Systemtic Name: (2S,3R)-1-(azepan-1-ium-1-yl)-3-(4-methylphenyl)-2-phenoxy-pentan-3-ol Openeye Name: (2S,3R)-1-(azepan-1-ium-1-yl)-2-phenoxy-3-(p-tolyl)pentan-3-ol CAS Name: (2S,3R)-1-(1-azepan-1-iumyl)-3-(4-methylphenyl)-2-phenoxy-3-pentanol IUPAC Name: (2S,3R)-1-(azepan-1-ium-1-yl)-3-(4-methylphenyl)-2-phenoxypentan-3-ol Traditional Name: (2S,3R)-1-(azepan-1-ium-1-yl)-2-phenoxy-3-(p-tolyl)pentan-3-ol Formula: C24H34NO2+ MolecularWeight: 368.53226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO2/c1-3-24(26,21-15-13-20(2)14-16-21)23(27-22-11-7-6-8-12-22)19-25-17-9-4-5-10-18-25/h6-8,11-16,23,26H,3-5,9-10,17-19H2,1-2H3/p+1/t23-,24+/m0/s1