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

Systemtic Name: 3-azanyl-N-(4-bromophenyl)-5-methyl-N'-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,2-thiazol-2-ium-2-carboximidamide Openeye Name: 3-amino-N-(4-bromophenyl)-5-methyl-N'-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)isothiazol-2-ium-2-carboxamidine CAS Name: 3-amino-N-(4-bromophenyl)-5-methyl-N'-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-2-isothiazol-2-iumcarboximidamide IUPAC Name: 3-amino-N-(4-bromophenyl)-5-methyl-N'-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,2-thiazol-2-ium-2-carboximidamide Traditional Name: 3-amino-N-(4-bromophenyl)-5-methyl-N'-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)isothiazol-2-ium-2-carboxamidine Formula: C20H30BrN5S+2 MolecularWeight: 452.4547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](S1)C(=NC2CC([NH2+]C(C2)(C)C)(C)C)NC3=CC=C(C=C3)Br)N

Isomeric SMILES

CC1=CC(=[N+](S1)C(=NC2CC([NH2+]C(C2)(C)C)(C)C)NC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C20H28BrN5S/c1-13-10-17(22)26(27-13)18(23-15-8-6-14(21)7-9-15)24-16-11-19(2,3)25-20(4,5)12-16/h6-10,16,22,25H,11-12H2,1-5H3,(H,23,24)/p+2