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

Systemtic Name: methyl 2-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C16H19ClN3O3S2+ MolecularWeight: 400.92336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C16H18ClN3O3S2/c1-23-15(21)12-4-9-24-14(12)18-16(22)20-7-5-19(6-8-20)10-11-2-3-13(17)25-11/h2-4,9H,5-8,10H2,1H3,(H,18,22)/p+1