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

Systemtic Name: methyl 2-[[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(5-chloro-2-methoxy-benzyl)piperazin-4-ium-1-carbonyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H25ClN3O4S+ MolecularWeight: 438.9482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)OC)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)OC)C(=O)OC

InChI

InChI=1S/C20H24ClN3O4S/c1-13-10-16(19(25)28-3)18(29-13)22-20(26)24-8-6-23(7-9-24)12-14-11-15(21)4-5-17(14)27-2/h4-5,10-11H,6-9,12H2,1-3H3,(H,22,26)/p+1