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

Systemtic Name: methyl 3-[(4-cyclohexylpiperazin-4-ium-1-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-cyclohexylpiperazin-4-ium-1-carbonyl)amino]thiophene-2-carboxylate CAS Name: 3-[[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-cyclohexylpiperazin-4-ium-1-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(4-cyclohexylpiperazin-4-ium-1-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C17H26N3O3S+ MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)N2CC[NH+](CC2)C3CCCCC3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)N2CC[NH+](CC2)C3CCCCC3

InChI

InChI=1S/C17H25N3O3S/c1-23-16(21)15-14(7-12-24-15)18-17(22)20-10-8-19(9-11-20)13-5-3-2-4-6-13/h7,12-13H,2-6,8-11H2,1H3,(H,18,22)/p+1