ethyl-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-(phenylmethyl)azanium

Systemtic Name: ethyl-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]ammonium CAS Name: ethyl-[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]azanium Traditional Name: benzyl-ethyl-[1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]ammonium Formula: C22H32N2S+2 MolecularWeight: 356.56788

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H30N2S/c1-3-24(18-19-7-5-4-6-8-19)21-13-15-23(16-14-21)17-20-9-11-22(25-2)12-10-20/h4-12,21H,3,13-18H2,1-2H3/p+2