methyl 2-[[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[4-(5-chloro-2-methoxy-benzyl)piperazin-4-ium-1-carbonyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C19H23ClN3O4S+ MolecularWeight: 424.92162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)C(=O)NC3=C(C=CS3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)C(=O)NC3=C(C=CS3)C(=O)OC

InChI

InChI=1S/C19H22ClN3O4S/c1-26-16-4-3-14(20)11-13(16)12-22-6-8-23(9-7-22)19(25)21-17-15(5-10-28-17)18(24)27-2/h3-5,10-11H,6-9,12H2,1-2H3,(H,21,25)/p+1