[(2R)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-(4-methylsulfanylphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-(4-methylsulfanylphenyl)ethyl]azanium Openeye Name: [(2R)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-(4-methylsulfanylphenyl)ethyl]ammonium CAS Name: [(2R)-2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-2-[4-(methylthio)phenyl]ethyl]ammonium IUPAC Name: [(2R)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-(4-methylsulfanylphenyl)ethyl]azanium Traditional Name: [(2R)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-[4-(methylthio)phenyl]ethyl]ammonium Formula: C16H29N3S+2 MolecularWeight: 295.48656

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(C[NH3+])C2=CC=C(C=C2)SC

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)[C@@H](C[NH3+])C2=CC=C(C=C2)SC

InChI

InChI=1S/C16H27N3S/c1-18-10-8-14(9-11-18)19(2)16(12-17)13-4-6-15(20-3)7-5-13/h4-7,14,16H,8-12,17H2,1-3H3/p+2/t16-/m0/s1