(2,2-dimethyl-3,4-dihydrothiochromen-4-yl)-[(1-methylisoquinolin-5-yl)carbamoyl]-bis(oxidanyl)azanium

Systemtic Name: (2,2-dimethyl-3,4-dihydrothiochromen-4-yl)-[(1-methylisoquinolin-5-yl)carbamoyl]-bis(oxidanyl)azanium Openeye Name: (2,2-dimethylthiochroman-4-yl)-dihydroxy-[(1-methyl-5-isoquinolyl)carbamoyl]ammonium CAS Name: (2,2-dimethyl-3,4-dihydro-1-benzothiopyran-4-yl)-dihydroxy-[[(1-methyl-5-isoquinolinyl)amino]-oxomethyl]ammonium IUPAC Name: (2,2-dimethyl-3,4-dihydrothiochromen-4-yl)-dihydroxy-[(1-methylisoquinolin-5-yl)carbamoyl]azanium Traditional Name: (2,2-dimethylthiochroman-4-yl)-dihydroxy-[(1-methyl-5-isoquinolyl)carbamoyl]ammonium Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC2=C1C=CC=C2NC(=O)[N+](C3CC(SC4=CC=CC=C34)(C)C)(O)O

Isomeric SMILES

CC1=NC=CC2=C1C=CC=C2NC(=O)[N+](C3CC(SC4=CC=CC=C34)(C)C)(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/p+1