N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-3-nitro-4-pyrrolidino-benzamide Formula: C24H32N5O3+ MolecularWeight: 438.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H31N5O3/c1-19-5-4-6-21(17-19)27-15-13-26(14-16-27)12-9-25-24(30)20-7-8-22(23(18-20)29(31)32)28-10-2-3-11-28/h4-8,17-18H,2-3,9-16H2,1H3,(H,25,30)/p+1