N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2/c1-3-19-9-11-20(12-10-19)18(2)24-22(27)17-25-13-15-26(16-14-25)23(28)21-7-5-4-6-8-21/h4-12,18H,3,13-17H2,1-2H3,(H,24,27)/p+1/t18-/m0/s1