2-[[(2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Systemtic Name: 2-[[(2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: 2-[[(2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: 2-[[(2S)-1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: 2-[[(2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: 2-[[(2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C20H27N5O2S+2 MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCC2)C(=O)N)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C2=C(S1)CCC2)C(=O)N)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H25N5O2S/c1-13(24-9-11-25(12-10-24)16-7-2-3-8-22-16)19(27)23-20-17(18(21)26)14-5-4-6-15(14)28-20/h2-3,7-8,13H,4-6,9-12H2,1H3,(H2,21,26)(H,23,27)/p+2/t13-/m0/s1