N-[2,6-di(propan-2-yl)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-(2,6-diisopropylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-(2,6-diisopropylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C24H33N4O3+ MolecularWeight: 425.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O3/c1-16(2)19-7-6-8-20(17(3)4)23(19)25-24(29)18-9-10-21(22(15-18)28(30)31)27-13-11-26(5)12-14-27/h6-10,15-17H,11-14H2,1-5H3,(H,25,29)/p+1