[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-(oxan-4-yl)azanium

Systemtic Name: [(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-(oxan-4-yl)azanium Openeye Name: [(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-tetrahydropyran-4-yl-ammonium CAS Name: [(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-(4-oxanyl)ammonium IUPAC Name: [(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-(oxan-4-yl)azanium Traditional Name: [(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-tetrahydropyran-4-yl-ammonium Formula: C20H28N3O+ MolecularWeight: 326.45582

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(C1)N(N=C2)C3=CC=CC=C3)[NH2+]C4CCOCC4)C

Isomeric SMILES

CC1(C[C@@H](C2=C(C1)N(N=C2)C3=CC=CC=C3)[NH2+]C4CCOCC4)C

InChI

InChI=1S/C20H27N3O/c1-20(2)12-18(22-15-8-10-24-11-9-15)17-14-21-23(19(17)13-20)16-6-4-3-5-7-16/h3-7,14-15,18,22H,8-13H2,1-2H3/p+1/t18-/m0/s1