3-azanyl-5-methyl-N-phenyl-N'-[(3,4,5-trimethoxyphenyl)methyl]-1,2-thiazol-2-ium-2-carboximidamide

Systemtic Name: 3-azanyl-5-methyl-N-phenyl-N'-[(3,4,5-trimethoxyphenyl)methyl]-1,2-thiazol-2-ium-2-carboximidamide Openeye Name: 3-amino-5-methyl-N-phenyl-N'-[(3,4,5-trimethoxyphenyl)methyl]isothiazol-2-ium-2-carboxamidine CAS Name: 3-amino-5-methyl-N-phenyl-N'-[(3,4,5-trimethoxyphenyl)methyl]-2-isothiazol-2-iumcarboximidamide IUPAC Name: 3-amino-5-methyl-N-phenyl-N'-[(3,4,5-trimethoxyphenyl)methyl]-1,2-thiazol-2-ium-2-carboximidamide Traditional Name: 3-amino-5-methyl-N-phenyl-N'-(3,4,5-trimethoxybenzyl)isothiazol-2-ium-2-carboxamidine Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](S1)C(=NCC2=CC(=C(C(=C2)OC)OC)OC)NC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC(=[N+](S1)C(=NCC2=CC(=C(C(=C2)OC)OC)OC)NC3=CC=CC=C3)N

InChI

InChI=1S/C21H24N4O3S/c1-14-10-19(22)25(29-14)21(24-16-8-6-5-7-9-16)23-13-15-11-17(26-2)20(28-4)18(12-15)27-3/h5-12,22H,13H2,1-4H3,(H,23,24)/p+1