(2S)-N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide

Systemtic Name: (2S)-N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: (2S)-N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: (2S)-N-ethyl-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-N-phenylpropanamide IUPAC Name: (2S)-N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: (2S)-N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenyl-propionamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-3-24(19-7-5-4-6-8-19)21(26)17(2)22-13-15-23(16-14-22)18-9-11-20(12-10-18)25(27)28/h4-12,17H,3,13-16H2,1-2H3/p+1/t17-/m0/s1