(2S,3S)-1-(azepan-1-ium-1-yl)-5-methyl-3-(4-methylphenyl)-2-phenyl-hexan-3-ol

Systemtic Name: (2S,3S)-1-(azepan-1-ium-1-yl)-5-methyl-3-(4-methylphenyl)-2-phenyl-hexan-3-ol Openeye Name: (2S,3S)-1-(azepan-1-ium-1-yl)-5-methyl-2-phenyl-3-(p-tolyl)hexan-3-ol CAS Name: (2S,3S)-1-(1-azepan-1-iumyl)-5-methyl-3-(4-methylphenyl)-2-phenyl-3-hexanol IUPAC Name: (2S,3S)-1-(azepan-1-ium-1-yl)-5-methyl-3-(4-methylphenyl)-2-phenylhexan-3-ol Traditional Name: (2S,3S)-1-(azepan-1-ium-1-yl)-5-methyl-2-phenyl-3-(p-tolyl)hexan-3-ol Formula: C26H38NO+ MolecularWeight: 380.58602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO/c1-21(2)19-26(28,24-15-13-22(3)14-16-24)25(23-11-7-6-8-12-23)20-27-17-9-4-5-10-18-27/h6-8,11-16,21,25,28H,4-5,9-10,17-20H2,1-3H3/p+1/t25-,26-/m1/s1