N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

Systemtic Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide Openeye Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide CAS Name: N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide IUPAC Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide Traditional Name: N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CC4=C(S3)CCC4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CC4=C(S3)CCC4

InChI

InChI=1S/C21H26N2OS/c24-21(20-13-16-9-6-10-19(16)25-20)22-14-17-7-2-3-8-18(17)15-23-11-4-1-5-12-23/h2-3,7-8,13H,1,4-6,9-12,14-15H2,(H,22,24)/p+1