methyl 3-[[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]carbamoyl]benzoate

Systemtic Name: methyl 3-[[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]carbamoyl]benzoate Openeye Name: methyl 3-[[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]carbamoyl]benzoate CAS Name: 3-[[2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]carbamoyl]benzoate Traditional Name: 3-[[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]carbamoyl]benzoic acid methyl ester Formula: C21H24N3O4+ MolecularWeight: 382.43296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C21H23N3O4/c1-23-10-12-24(13-11-23)20(26)17-8-3-4-9-18(17)22-19(25)15-6-5-7-16(14-15)21(27)28-2/h3-9,14H,10-13H2,1-2H3,(H,22,25)/p+1