methyl 2-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[3-(4-methyl-1-piperazin-4-iumyl)-1-oxopropyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H26N3O3S+ MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)CCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC

InChI

InChI=1S/C17H25N3O3S/c1-19-8-10-20(11-9-19)7-6-14(21)18-16-15(17(22)23-2)12-4-3-5-13(12)24-16/h3-11H2,1-2H3,(H,18,21)/p+1