N-tert-butyl-2-(2,6-dimethylphenyl)-3-methylsulfanyl-imidazo[1,5-a]pyridin-4-ium-1-amine

Systemtic Name: N-tert-butyl-2-(2,6-dimethylphenyl)-3-methylsulfanyl-imidazo[1,5-a]pyridin-4-ium-1-amine Openeye Name: N-tert-butyl-2-(2,6-dimethylphenyl)-3-methylsulfanyl-imidazo[1,5-a]pyridin-4-ium-1-amine CAS Name: N-tert-butyl-2-(2,6-dimethylphenyl)-3-(methylthio)-1-imidazo[1,5-a]pyridin-4-iumamine IUPAC Name: N-tert-butyl-2-(2,6-dimethylphenyl)-3-methylsulfanylimidazo[1,5-a]pyridin-4-ium-1-amine Traditional Name: tert-butyl-[2-(2,6-dimethylphenyl)-3-(methylthio)imidazo[1,5-a]pyridin-4-ium-1-yl]amine Formula: C20H26N3S+ MolecularWeight: 340.50554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=C3C=CC=C[N+]3=C2SC)NC(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=C3C=CC=C[N+]3=C2SC)NC(C)(C)C

InChI

InChI=1S/C20H26N3S/c1-14-10-9-11-15(2)17(14)23-18(21-20(3,4)5)16-12-7-8-13-22(16)19(23)24-6/h7-13,21H,1-6H3/q+1