4-[[(2R)-3-methyl-2-(4-methylpiperazin-1-ium-1-yl)butyl]amino]-3-nitro-benzamide

Systemtic Name: 4-[[(2R)-3-methyl-2-(4-methylpiperazin-1-ium-1-yl)butyl]amino]-3-nitro-benzamide Openeye Name: 4-[[(2R)-3-methyl-2-(4-methylpiperazin-1-ium-1-yl)butyl]amino]-3-nitro-benzamide CAS Name: 4-[[(2R)-3-methyl-2-(4-methyl-1-piperazin-1-iumyl)butyl]amino]-3-nitrobenzamide IUPAC Name: 4-[[(2R)-3-methyl-2-(4-methylpiperazin-1-ium-1-yl)butyl]amino]-3-nitrobenzamide Traditional Name: 4-[[(2R)-3-methyl-2-(4-methylpiperazin-1-ium-1-yl)butyl]amino]-3-nitro-benzamide Formula: C17H28N5O3+ MolecularWeight: 350.43592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])[NH+]2CCN(CC2)C

Isomeric SMILES

CC(C)[C@H](CNC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])[NH+]2CCN(CC2)C

InChI

InChI=1S/C17H27N5O3/c1-12(2)16(21-8-6-20(3)7-9-21)11-19-14-5-4-13(17(18)23)10-15(14)22(24)25/h4-5,10,12,16,19H,6-9,11H2,1-3H3,(H2,18,23)/p+1/t16-/m0/s1