ethyl 2-azanyl-5-(methylcarbamoyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-(methylcarbamoyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]thiophene-3-carboxylate Openeye Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]thiophene-3-carboxylate CAS Name: 2-amino-5-(methylcarbamoyl)-4-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]thiophene-3-carboxylate Traditional Name: 2-amino-5-(methylcarbamoyl)-4-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]thiophene-3-carboxylic acid ethyl ester Formula: C21H29N4O3S+ MolecularWeight: 417.54496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C[NH+]2CCN(CC2)C3=CC=CC=C3C)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C[NH+]2CCN(CC2)C3=CC=CC=C3C)C(=O)NC)N

InChI

InChI=1S/C21H28N4O3S/c1-4-28-21(27)17-15(18(20(26)23-3)29-19(17)22)13-24-9-11-25(12-10-24)16-8-6-5-7-14(16)2/h5-8H,4,9-13,22H2,1-3H3,(H,23,26)/p+1