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

Systemtic Name: (2S,3S)-4-(azepan-1-ium-1-yl)-2-(4-ethoxyphenyl)-3-phenoxy-butan-2-ol Openeye Name: (2S,3S)-4-(azepan-1-ium-1-yl)-2-(4-ethoxyphenyl)-3-phenoxy-butan-2-ol CAS Name: (2S,3S)-4-(1-azepan-1-iumyl)-2-(4-ethoxyphenyl)-3-phenoxy-2-butanol IUPAC Name: (2S,3S)-4-(azepan-1-ium-1-yl)-2-(4-ethoxyphenyl)-3-phenoxybutan-2-ol Traditional Name: (2S,3S)-4-(azepan-1-ium-1-yl)-3-phenoxy-2-p-phenetyl-butan-2-ol Formula: C24H34NO3+ MolecularWeight: 384.53166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)(C(C[NH+]2CCCCCC2)OC3=CC=CC=C3)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@](C)([C@H](C[NH+]2CCCCCC2)OC3=CC=CC=C3)O

InChI

InChI=1S/C24H33NO3/c1-3-27-21-15-13-20(14-16-21)24(2,26)23(28-22-11-7-6-8-12-22)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