(2S,3S)-4-(azepan-1-ium-1-yl)-2-(4-butoxyphenyl)-1,3-diphenyl-butan-2-ol

Systemtic Name: (2S,3S)-4-(azepan-1-ium-1-yl)-2-(4-butoxyphenyl)-1,3-diphenyl-butan-2-ol Openeye Name: (2S,3S)-4-(azepan-1-ium-1-yl)-2-(4-butoxyphenyl)-1,3-diphenyl-butan-2-ol CAS Name: (2S,3S)-4-(1-azepan-1-iumyl)-2-(4-butoxyphenyl)-1,3-diphenyl-2-butanol IUPAC Name: (2S,3S)-4-(azepan-1-ium-1-yl)-2-(4-butoxyphenyl)-1,3-diphenylbutan-2-ol Traditional Name: (2S,3S)-4-(azepan-1-ium-1-yl)-2-(4-butoxyphenyl)-1,3-diphenyl-butan-2-ol Formula: C32H42NO2+ MolecularWeight: 472.68138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(CC2=CC=CC=C2)(C(C[NH+]3CCCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@](CC2=CC=CC=C2)([C@H](C[NH+]3CCCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C32H41NO2/c1-2-3-24-35-30-20-18-29(19-21-30)32(34,25-27-14-8-6-9-15-27)31(28-16-10-7-11-17-28)26-33-22-12-4-5-13-23-33/h6-11,14-21,31,34H,2-5,12-13,22-26H2,1H3/p+1/t31-,32-/m1/s1