3,4,5-trimethoxy-N-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]-2-nitro-benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]-2-nitro-benzamide Openeye Name: 3,4,5-trimethoxy-N-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]-2-nitro-benzamide CAS Name: 3,4,5-trimethoxy-N-[3-[4-(3-methylphenyl)-1-piperazin-1-iumyl]propyl]-2-nitrobenzamide IUPAC Name: 3,4,5-trimethoxy-N-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]-2-nitrobenzamide Traditional Name: 3,4,5-trimethoxy-N-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]-2-nitro-benzamide Formula: C24H33N4O6+ MolecularWeight: 473.54202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O6/c1-17-7-5-8-18(15-17)27-13-11-26(12-14-27)10-6-9-25-24(29)19-16-20(32-2)22(33-3)23(34-4)21(19)28(30)31/h5,7-8,15-16H,6,9-14H2,1-4H3,(H,25,29)/p+1