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

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-ium-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-ium-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-[2-(4-ethoxyphenyl)ethyl]-1-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-ium-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[4-(2-p-phenetylethyl)piperidin-1-ium-1-yl]propionamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCC2CC[NH+](CC2)CCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)CCC2CC[NH+](CC2)CCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C23H29N3O2S/c1-2-28-21-7-5-18(6-8-21)3-4-19-9-13-26(14-10-19)15-11-22(27)25-23-20(17-24)12-16-29-23/h5-8,12,16,19H,2-4,9-11,13-15H2,1H3,(H,25,27)/p+1