diethyl-[2-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]ethyl]azanium

Systemtic Name: diethyl-[2-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]ethyl]azanium Openeye Name: diethyl-[2-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]ethyl]ammonium CAS Name: diethyl-[2-[[[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]ethyl]azanium Traditional Name: diethyl-[2-[[1-[4-(methylthio)benzyl]piperidin-1-ium-4-carbonyl]amino]ethyl]ammonium Formula: C20H35N3OS+2 MolecularWeight: 365.5764

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C20H33N3OS/c1-4-22(5-2)15-12-21-20(24)18-10-13-23(14-11-18)16-17-6-8-19(25-3)9-7-17/h6-9,18H,4-5,10-16H2,1-3H3,(H,21,24)/p+2