4-(azepan-1-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-3-nitro-benzamide Formula: C23H31N6O3+ MolecularWeight: 439.53064

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H30N6O3/c1-26-12-14-28(15-13-26)22-9-7-19(17-24-22)25-23(30)18-6-8-20(21(16-18)29(31)32)27-10-4-2-3-5-11-27/h6-9,16-17H,2-5,10-15H2,1H3,(H,25,30)/p+1