methyl 3-[(4-cyclopentylpiperazin-4-ium-1-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-cyclopentylpiperazin-4-ium-1-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-cyclopentylpiperazin-4-ium-1-carbonyl)amino]thiophene-2-carboxylate CAS Name: 3-[[(4-cyclopentyl-1-piperazin-4-iumyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-cyclopentylpiperazin-4-ium-1-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(4-cyclopentylpiperazin-4-ium-1-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)N2CC[NH+](CC2)C3CCCC3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)N2CC[NH+](CC2)C3CCCC3

InChI

InChI=1S/C16H23N3O3S/c1-22-15(20)14-13(6-11-23-14)17-16(21)19-9-7-18(8-10-19)12-4-2-3-5-12/h6,11-12H,2-5,7-10H2,1H3,(H,17,21)/p+1