ethyl 2-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-ethyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)OCC

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)OCC

InChI

InChI=1S/C22H29N3O3S/c1-4-24-10-12-25(13-11-24)14-19(26)23-21-20(22(27)28-5-2)18(15-29-21)17-8-6-16(3)7-9-17/h6-9,15H,4-5,10-14H2,1-3H3,(H,23,26)/p+1