methyl 3-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3S/c1-24-18(23)17-15(7-12-25-17)19-16(22)13-20-8-10-21(11-9-20)14-5-3-2-4-6-14/h2-7,12H,8-11,13H2,1H3,(H,19,22)/p+1