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

Systemtic Name: methyl 2-[(4-phenethylpiperazin-4-ium-1-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-phenethylpiperazin-4-ium-1-carbonyl)amino]thiophene-3-carboxylate CAS Name: 2-[[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-phenethylpiperazin-4-ium-1-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 2-[(4-phenethylpiperazin-4-ium-1-carbonyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O3S/c1-25-18(23)16-8-14-26-17(16)20-19(24)22-12-10-21(11-13-22)9-7-15-5-3-2-4-6-15/h2-6,8,14H,7,9-13H2,1H3,(H,20,24)/p+1