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

Systemtic Name: (2S,3S)-4-(azepan-1-ium-1-yl)-2-(4-ethylphenyl)-1,3-diphenyl-butan-2-ol Openeye Name: (2S,3S)-4-(azepan-1-ium-1-yl)-2-(4-ethylphenyl)-1,3-diphenyl-butan-2-ol CAS Name: (2S,3S)-4-(1-azepan-1-iumyl)-2-(4-ethylphenyl)-1,3-diphenyl-2-butanol IUPAC Name: (2S,3S)-4-(azepan-1-ium-1-yl)-2-(4-ethylphenyl)-1,3-diphenylbutan-2-ol Traditional Name: (2S,3S)-4-(azepan-1-ium-1-yl)-2-(4-ethylphenyl)-1,3-diphenyl-butan-2-ol Formula: C30H38NO+ MolecularWeight: 428.62882

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CC2=CC=CC=C2)(C(C[NH+]3CCCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@](CC2=CC=CC=C2)([C@H](C[NH+]3CCCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C30H37NO/c1-2-25-17-19-28(20-18-25)30(32,23-26-13-7-5-8-14-26)29(27-15-9-6-10-16-27)24-31-21-11-3-4-12-22-31/h5-10,13-20,29,32H,2-4,11-12,21-24H2,1H3/p+1/t29-,30-/m1/s1