N-(3-cyanothiophen-2-yl)-3-[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-[2-(p-tolyl)ethyl]piperidin-1-ium-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-[2-(4-methylphenyl)ethyl]-1-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[4-[2-(p-tolyl)ethyl]piperidin-1-ium-1-yl]propionamide Formula: C22H28N3OS+ MolecularWeight: 382.54222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2CC[NH+](CC2)CCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CCC2CC[NH+](CC2)CCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C22H27N3OS/c1-17-2-4-18(5-3-17)6-7-19-8-12-25(13-9-19)14-10-21(26)24-22-20(16-23)11-15-27-22/h2-5,11,15,19H,6-10,12-14H2,1H3,(H,24,26)/p+1