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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O3S/c1-25-18(23)17-16(8-14-26-17)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