N-(3-methylsulfanylphenyl)-1-phenethyl-piperidin-1-ium-4-amine

Systemtic Name: N-(3-methylsulfanylphenyl)-1-phenethyl-piperidin-1-ium-4-amine Openeye Name: N-(3-methylsulfanylphenyl)-1-phenethyl-piperidin-1-ium-4-amine CAS Name: N-[3-(methylthio)phenyl]-1-phenethyl-4-piperidin-1-iumamine IUPAC Name: N-(3-methylsulfanylphenyl)-1-phenethylpiperidin-1-ium-4-amine Traditional Name: [3-(methylthio)phenyl]-(1-phenethylpiperidin-1-ium-4-yl)amine Formula: C20H27N2S+ MolecularWeight: 327.50678

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H26N2S/c1-23-20-9-5-8-19(16-20)21-18-11-14-22(15-12-18)13-10-17-6-3-2-4-7-17/h2-9,16,18,21H,10-15H2,1H3/p+1