ethyl 2-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-ethyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

InChI

InChI=1S/C19H29N3O3S/c1-3-21-9-11-22(12-10-21)13-16(23)20-18-17(19(24)25-4-2)14-7-5-6-8-15(14)26-18/h3-13H2,1-2H3,(H,20,23)/p+1