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

Systemtic Name: 3-nitro-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzamide Openeye Name: 3-nitro-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzamide CAS Name: 3-nitro-4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]benzamide IUPAC Name: 3-nitro-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzamide Traditional Name: 3-nitro-4-[(4-pyridin-1-ium-2-ylpiperazino)methyl]benzamide Formula: C17H20N5O3+ MolecularWeight: 342.3724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H19N5O3/c18-17(23)13-4-5-14(15(11-13)22(24)25)12-20-7-9-21(10-8-20)16-3-1-2-6-19-16/h1-6,11H,7-10,12H2,(H2,18,23)/p+1