(2S,3S)-N,N,3-trimethyl-6-methylsulfanyl-1,2-diphenyl-2,3-dihydropyridin-1-ium-4-amine

Systemtic Name: (2S,3S)-N,N,3-trimethyl-6-methylsulfanyl-1,2-diphenyl-2,3-dihydropyridin-1-ium-4-amine Openeye Name: (2S,3S)-N,N,3-trimethyl-6-methylsulfanyl-1,2-diphenyl-2,3-dihydropyridin-1-ium-4-amine CAS Name: (2S,3S)-N,N,3-trimethyl-6-(methylthio)-1,2-diphenyl-2,3-dihydropyridin-1-ium-4-amine IUPAC Name: (2S,3S)-N,N,3-trimethyl-6-methylsulfanyl-1,2-diphenyl-2,3-dihydropyridin-1-ium-4-amine Traditional Name: dimethyl-[(2S,3S)-3-methyl-6-(methylthio)-1,2-diphenyl-2,3-dihydropyridin-1-ium-4-yl]amine Formula: C21H25N2S+ MolecularWeight: 337.5016

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([N+](=C(C=C1N(C)C)SC)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1[C@H]([N+](=C(C=C1N(C)C)SC)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N2S/c1-16-19(22(2)3)15-20(24-4)23(18-13-9-6-10-14-18)21(16)17-11-7-5-8-12-17/h5-16,21H,1-4H3/q+1/t16-,21+/m1/s1