[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-(thian-4-yl)azanium

Systemtic Name: [(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-(thian-4-yl)azanium Openeye Name: [(4R)-6,6-dimethyl-1-(o-tolyl)-5,7-dihydro-4H-indazol-4-yl]-tetrahydrothiopyran-4-yl-ammonium CAS Name: [(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-(4-thianyl)ammonium IUPAC Name: [(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-(thian-4-yl)azanium Traditional Name: [(4R)-6,6-dimethyl-1-(o-tolyl)-5,7-dihydro-4H-indazol-4-yl]-tetrahydrothiopyran-4-yl-ammonium Formula: C21H30N3S+ MolecularWeight: 356.548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C=N2)C(CC(C3)(C)C)[NH2+]C4CCSCC4

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C=N2)[C@@H](CC(C3)(C)C)[NH2+]C4CCSCC4

InChI

InChI=1S/C21H29N3S/c1-15-6-4-5-7-19(15)24-20-13-21(2,3)12-18(17(20)14-22-24)23-16-8-10-25-11-9-16/h4-7,14,16,18,23H,8-13H2,1-3H3/p+1/t18-/m1/s1