3-azanyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxyphenyl)-5-methyl-1,2-thiazol-2-ium-2-carboximidamide

Systemtic Name: 3-azanyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxyphenyl)-5-methyl-1,2-thiazol-2-ium-2-carboximidamide Openeye Name: 3-amino-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxyphenyl)-5-methyl-isothiazol-2-ium-2-carboxamidine CAS Name: 3-amino-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxyphenyl)-5-methyl-2-isothiazol-2-iumcarboximidamide IUPAC Name: 3-amino-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxyphenyl)-5-methyl-1,2-thiazol-2-ium-2-carboximidamide Traditional Name: 3-amino-N'-homoveratryl-N-(4-methoxyphenyl)-5-methyl-isothiazol-2-ium-2-carboxamidine Formula: C22H27N4O3S+ MolecularWeight: 427.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](S1)C(=NCCC2=CC(=C(C=C2)OC)OC)NC3=CC=C(C=C3)OC)N

Isomeric SMILES

CC1=CC(=[N+](S1)C(=NCCC2=CC(=C(C=C2)OC)OC)NC3=CC=C(C=C3)OC)N

InChI

InChI=1S/C22H26N4O3S/c1-15-13-21(23)26(30-15)22(25-17-6-8-18(27-2)9-7-17)24-12-11-16-5-10-19(28-3)20(14-16)29-4/h5-10,13-14,23H,11-12H2,1-4H3,(H,24,25)/p+1