4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitro-N-[2-[oxo(propylamino)methyl]phenyl]benzamide IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide Formula: C22H28N5O4+ MolecularWeight: 426.48882

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O4/c1-3-10-23-22(29)17-6-4-5-7-18(17)24-21(28)16-8-9-19(20(15-16)27(30)31)26-13-11-25(2)12-14-26/h4-9,15H,3,10-14H2,1-2H3,(H,23,29)(H,24,28)/p+1