ethyl 2-[3-(4-methylpiperazine-1,4-diium-1-yl)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(4-methylpiperazine-1,4-diium-1-yl)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-methylpiperazine-1,4-diium-1-yl)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[3-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxopropyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-methylpiperazine-1,4-diium-1-yl)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[3-(4-methylpiperazine-1,4-diium-1-yl)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C20H33N3O3S+2 MolecularWeight: 395.55932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CC[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CC[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C20H31N3O3S/c1-3-26-20(25)18-15-7-5-4-6-8-16(15)27-19(18)21-17(24)9-10-23-13-11-22(2)12-14-23/h3-14H2,1-2H3,(H,21,24)/p+2