[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-(furan-3-ylmethyl)azanium

Systemtic Name: [(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-(furan-3-ylmethyl)azanium Openeye Name: [(4R)-6,6-dimethyl-1-(o-tolyl)-5,7-dihydro-4H-indazol-4-yl]-(3-furylmethyl)ammonium CAS Name: [(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-(3-furanylmethyl)ammonium IUPAC Name: [(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-(furan-3-ylmethyl)azanium Traditional Name: [(4R)-6,6-dimethyl-1-(o-tolyl)-5,7-dihydro-4H-indazol-4-yl]-(3-furfuryl)ammonium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C=N2)C(CC(C3)(C)C)[NH2+]CC4=COC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C=N2)[C@@H](CC(C3)(C)C)[NH2+]CC4=COC=C4

InChI

InChI=1S/C21H25N3O/c1-15-6-4-5-7-19(15)24-20-11-21(2,3)10-18(17(20)13-23-24)22-12-16-8-9-25-14-16/h4-9,13-14,18,22H,10-12H2,1-3H3/p+1/t18-/m1/s1