3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzamide

Systemtic Name: 3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzamide Openeye Name: 3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzamide CAS Name: 3-nitro-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]benzamide IUPAC Name: 3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzamide Traditional Name: 3-nitro-4-(4-pyridin-1-ium-2-ylpiperazino)benzamide Formula: C16H18N5O3+ MolecularWeight: 328.34582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H17N5O3/c17-16(22)12-4-5-13(14(11-12)21(23)24)19-7-9-20(10-8-19)15-3-1-2-6-18-15/h1-6,11H,7-10H2,(H2,17,22)/p+1