ethyl 2-[3-(4-methylpiperazine-1,4-diium-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(4-methylpiperazine-1,4-diium-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-methylpiperazine-1,4-diium-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-methylpiperazine-1,4-diium-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(4-methylpiperazine-1,4-diium-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H31N3O3S+2 MolecularWeight: 381.53274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC[NH+]3CC[NH+](CC3)C

InChI

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