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

Systemtic Name: 2-[[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: 2-[[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: 2-[[(2R)-1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)propyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: 2-[[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: 2-[[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S/c1-14(24-10-12-25(13-11-24)15-6-3-2-4-7-15)20(27)23-21-18(19(22)26)16-8-5-9-17(16)28-21/h2-4,6-7,14H,5,8-13H2,1H3,(H2,22,26)(H,23,27)/p+1/t14-/m1/s1