(2S)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)propanamide Openeye Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-isopropylphenyl)propanamide CAS Name: (2S)-2-(4-benzoyl-1-piperazin-1-iumyl)-N-(4-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-p-cumenyl-propionamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

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