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

Systemtic Name: methyl 3-[[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-(2-thenyl)piperazin-4-ium-1-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C16H20N3O3S2+ MolecularWeight: 366.4783

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)N2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C16H19N3O3S2/c1-22-15(20)14-13(4-10-24-14)17-16(21)19-7-5-18(6-8-19)11-12-3-2-9-23-12/h2-4,9-10H,5-8,11H2,1H3,(H,17,21)/p+1