methyl 3-[[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H24N3O3S+ MolecularWeight: 374.47716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C19H23N3O3S/c1-14-5-3-4-6-15(14)13-21-8-10-22(11-9-21)19(24)20-16-7-12-26-17(16)18(23)25-2/h3-7,12H,8-11,13H2,1-2H3,(H,20,24)/p+1