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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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