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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(4S)-6,6-dimethyl-1-(o-tolyl)-5,7-dihydro-4H-indazol-4-yl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(4S)-6,6-dimethyl-1-(o-tolyl)-5,7-dihydro-4H-indazol-4-yl]ammonium Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C=N2)C(CC(C3)(C)C)[NH2+]CC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C=N2)[C@H](CC(C3)(C)C)[NH2+]CC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H29N3O2/c1-17-6-4-5-7-21(17)28-22-14-25(2,3)13-20(19(22)16-27-28)26-15-18-8-9-23-24(12-18)30-11-10-29-23/h4-9,12,16,20,26H,10-11,13-15H2,1-3H3/p+1/t20-/m0/s1