N-(1-phenethylpiperidin-1-ium-4-yl)-N-phenyl-propanethioamide

Systemtic Name: N-(1-phenethylpiperidin-1-ium-4-yl)-N-phenyl-propanethioamide Openeye Name: N-(1-phenethylpiperidin-1-ium-4-yl)-N-phenyl-propanethioamide CAS Name: N-(1-phenethyl-4-piperidin-1-iumyl)-N-phenylpropanethioamide IUPAC Name: N-(1-phenethylpiperidin-1-ium-4-yl)-N-phenylpropanethioamide Traditional Name: N-(1-phenethylpiperidin-1-ium-4-yl)-N-phenyl-thiopropionamide Formula: C22H29N2S+ MolecularWeight: 353.54406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)N(C1CC[NH+](CC1)CCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(=S)N(C1CC[NH+](CC1)CCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2S/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3/p+1