4-nitro-N-[3-oxidanylidene-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]benzamide

Systemtic Name: 4-nitro-N-[3-oxidanylidene-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]benzamide Openeye Name: 4-nitro-N-[3-oxo-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]benzamide CAS Name: 4-nitro-N-[3-oxo-3-[4-(4-pyridin-1-iumyl)-1-piperazinyl]propyl]benzamide IUPAC Name: 4-nitro-N-[3-oxo-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]benzamide Traditional Name: N-[3-keto-3-(4-pyridin-1-ium-4-ylpiperazino)propyl]-4-nitro-benzamide Formula: C19H22N5O4+ MolecularWeight: 384.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O4/c25-18(23-13-11-22(12-14-23)16-5-8-20-9-6-16)7-10-21-19(26)15-1-3-17(4-2-15)24(27)28/h1-6,8-9H,7,10-14H2,(H,21,26)/p+1