(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide Openeye Name: (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide CAS Name: (2S)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-(2-phenylphenyl)propanamide IUPAC Name: (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide Traditional Name: (2S)-2-(4-o-phenetylpiperazin-1-ium-1-yl)-N-(2-phenylphenyl)propionamide Formula: C27H32N3O2+ MolecularWeight: 430.56188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)NC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@@H](C)C(=O)NC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2/c1-3-32-26-16-10-9-15-25(26)30-19-17-29(18-20-30)21(2)27(31)28-24-14-8-7-13-23(24)22-11-5-4-6-12-22/h4-16,21H,3,17-20H2,1-2H3,(H,28,31)/p+1/t21-/m0/s1