1-[(2,2-dimethyl-3,4-dihydrothiochromen-4-yl)-bis(oxidanyl)azaniumyl]-N-(1-methylisoquinolin-5-yl)methanimidate

Systemtic Name: 1-[(2,2-dimethyl-3,4-dihydrothiochromen-4-yl)-bis(oxidanyl)azaniumyl]-N-(1-methylisoquinolin-5-yl)methanimidate Openeye Name: 1-[(2,2-dimethylthiochroman-4-yl)-dihydroxy-ammonio]-N-(1-methyl-5-isoquinolyl)methanimidate CAS Name: 1-[(2,2-dimethyl-3,4-dihydro-1-benzothiopyran-4-yl)-dihydroxyammonio]-N-(1-methyl-5-isoquinolinyl)methanimidate IUPAC Name: 1-[(2,2-dimethyl-3,4-dihydrothiochromen-4-yl)-dihydroxyazaniumyl]-N-(1-methylisoquinolin-5-yl)methanimidate Traditional Name: 1-[(2,2-dimethylthiochroman-4-yl)-dihydroxy-ammonio]-N-(1-methyl-5-isoquinolyl)formimidate Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC2=C1C=CC=C2N=C([N+](C3CC(SC4=CC=CC=C34)(C)C)(O)O)[O-]

Isomeric SMILES

CC1=NC=CC2=C1C=CC=C2N=C([N+](C3CC(SC4=CC=CC=C34)(C)C)(O)O)[O-]

InChI

InChI=1S/C22H23N3O3S/c1-14-15-8-6-9-18(16(15)11-12-23-14)24-21(26)25(27,28)19-13-22(2,3)29-20-10-5-4-7-17(19)20/h4-12,19,27-28H,13H2,1-3H3