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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)C(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)C(=O)NC3=C(SC=C3)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)21-15-5-10-28-17(15)18(24)27-2/h3-5,10-11H,6-9,12H2,1-2H3,(H,21,25)/p+1