5-nitro-N-phenyl-2-piperazin-4-ium-1-yl-benzamide

Systemtic Name: 5-nitro-N-phenyl-2-piperazin-4-ium-1-yl-benzamide Openeye Name: 5-nitro-N-phenyl-2-piperazin-4-ium-1-yl-benzamide CAS Name: 5-nitro-N-phenyl-2-(1-piperazin-4-iumyl)benzamide IUPAC Name: 5-nitro-N-phenyl-2-piperazin-4-ium-1-ylbenzamide Traditional Name: 5-nitro-N-phenyl-2-piperazin-4-ium-1-yl-benzamide Formula: C17H19N4O3+ MolecularWeight: 327.35776

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H18N4O3/c22-17(19-13-4-2-1-3-5-13)15-12-14(21(23)24)6-7-16(15)20-10-8-18-9-11-20/h1-7,12,18H,8-11H2,(H,19,22)/p+1