2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-17(2)24(19-6-4-3-5-7-19)21(26)16-22-12-14-23(15-13-22)18-8-10-20(11-9-18)25(27)28/h3-11,17H,12-16H2,1-2H3/p+1