ethyl 2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)C

InChI

InChI=1S/C20H25N3O3S/c1-3-26-20(25)16-13-17(15-7-5-4-6-8-15)27-19(16)21-18(24)14-23-11-9-22(2)10-12-23/h4-8,13H,3,9-12,14H2,1-2H3,(H,21,24)/p+1