4-(4-methylpiperazin-4-ium-1-yl)-N-(4-methylpyridin-2-yl)-3-nitro-benzamide

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-N-(4-methylpyridin-2-yl)-3-nitro-benzamide Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-N-(4-methyl-2-pyridyl)-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-N-(4-methylpyridin-2-yl)-3-nitrobenzamide Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-N-(4-methyl-2-pyridyl)-3-nitro-benzamide Formula: C18H22N5O3+ MolecularWeight: 356.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC=C1)NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O3/c1-13-5-6-19-17(11-13)20-18(24)14-3-4-15(16(12-14)23(25)26)22-9-7-21(2)8-10-22/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,24)/p+1