dimethyl-[2-[3-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[3-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]azanium Openeye Name: dimethyl-[2-[3-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[3-[1-[[3-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-1-oxopropyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[3-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]azanium Traditional Name: dimethyl-[2-[3-[1-[3-(methylthio)benzyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]ammonium Formula: C20H35N3OS+2 MolecularWeight: 365.5764

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)CCC1CC[NH+](CC1)CC2=CC(=CC=C2)SC

Isomeric SMILES

C[NH+](C)CCNC(=O)CCC1CC[NH+](CC1)CC2=CC(=CC=C2)SC

InChI

InChI=1S/C20H33N3OS/c1-22(2)14-11-21-20(24)8-7-17-9-12-23(13-10-17)16-18-5-4-6-19(15-18)25-3/h4-6,15,17H,7-14,16H2,1-3H3,(H,21,24)/p+2