3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]propanamide

Systemtic Name: 3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]propanamide Openeye Name: 3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]propanamide CAS Name: 3-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]-N-[(1S)-1-phenylethyl]propanamide IUPAC Name: 3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]propanamide Traditional Name: 3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]propionamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-17(18-7-3-2-4-8-18)22-21(26)11-12-23-13-15-24(16-14-23)19-9-5-6-10-20(19)25(27)28/h2-10,17H,11-16H2,1H3,(H,22,26)/p+1/t17-/m0/s1