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

Systemtic Name: 4-(2-methoxyethylamino)-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-3-nitro-benzamide Openeye Name: 4-(2-methoxyethylamino)-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-3-nitro-benzamide CAS Name: 4-(2-methoxyethylamino)-N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]-3-nitrobenzamide IUPAC Name: 4-(2-methoxyethylamino)-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-3-nitrobenzamide Traditional Name: 4-(2-methoxyethylamino)-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-3-nitro-benzamide Formula: C23H32N5O4+ MolecularWeight: 442.53128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O4/c1-18-4-3-5-20(16-18)27-13-11-26(12-14-27)10-8-25-23(29)19-6-7-21(24-9-15-32-2)22(17-19)28(30)31/h3-7,16-17,24H,8-15H2,1-2H3,(H,25,29)/p+1