methyl 2-[[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-(p-tolylmethyl)piperazin-4-ium-1-carbonyl]amino]benzoate CAS Name: 2-[[[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-(4-methylbenzyl)piperazin-4-ium-1-carbonyl]amino]benzoic acid methyl ester Formula: C21H26N3O3+ MolecularWeight: 368.44944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H25N3O3/c1-16-7-9-17(10-8-16)15-23-11-13-24(14-12-23)21(26)22-19-6-4-3-5-18(19)20(25)27-2/h3-10H,11-15H2,1-2H3,(H,22,26)/p+1