3-azanyl-5-methyl-N-(3-methylphenyl)-N'-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,2-thiazol-2-ium-2-carboximidamide

Systemtic Name: 3-azanyl-5-methyl-N-(3-methylphenyl)-N'-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,2-thiazol-2-ium-2-carboximidamide Openeye Name: 3-amino-5-methyl-N-(m-tolyl)-N'-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)isothiazol-2-ium-2-carboxamidine CAS Name: 3-amino-5-methyl-N-(3-methylphenyl)-N'-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-2-isothiazol-2-iumcarboximidamide IUPAC Name: 3-amino-5-methyl-N-(3-methylphenyl)-N'-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,2-thiazol-2-ium-2-carboximidamide Traditional Name: 3-amino-5-methyl-N-(m-tolyl)-N'-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)isothiazol-2-ium-2-carboxamidine Formula: C21H33N5S+2 MolecularWeight: 387.58522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=NC2CC([NH2+]C(C2)(C)C)(C)C)[N+]3=C(C=C(S3)C)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=NC2CC([NH2+]C(C2)(C)C)(C)C)[N+]3=C(C=C(S3)C)N

InChI

InChI=1S/C21H31N5S/c1-14-8-7-9-16(10-14)23-19(26-18(22)11-15(2)27-26)24-17-12-20(3,4)25-21(5,6)13-17/h7-11,17,22,25H,12-13H2,1-6H3,(H,23,24)/p+2