N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperidin-1-ium-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide CAS Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]propanamide IUPAC Name: 3-(4-benzylpiperidin-1-ium-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide Traditional Name: 3-(4-benzylpiperidin-1-ium-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propionamide Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2C#N)NC(=O)CC[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)SC(=C2C#N)NC(=O)CC[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3OS/c24-16-20-19-7-4-8-21(19)28-23(20)25-22(27)11-14-26-12-9-18(10-13-26)15-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-15H2,(H,25,27)/p+1