(3aR,8aS)-6-bromanyl-3-methyl-4-phenyl-3a,8a-dihydro-1H-pyrazolo[3,4-b]quinolin-9-ium

Systemtic Name: (3aR,8aS)-6-bromanyl-3-methyl-4-phenyl-3a,8a-dihydro-1H-pyrazolo[3,4-b]quinolin-9-ium Openeye Name: (3aR,8aS)-6-bromo-3-methyl-4-phenyl-3a,8a-dihydro-1H-pyrazolo[3,4-b]quinolin-9-ium CAS Name: (3aR,8aS)-6-bromo-3-methyl-4-phenyl-3a,8a-dihydro-1H-pyrazolo[3,4-b]quinolin-9-ium IUPAC Name: (3aR,8aS)-6-bromo-3-methyl-4-phenyl-3a,8a-dihydro-1H-pyrazolo[3,4-b]quinolin-9-ium Traditional Name: (3aR,8aS)-6-bromo-3-methyl-4-phenyl-3a,8a-dihydro-1H-pyrazolo[3,4-b]quinolin-9-ium Formula: C17H15BrN3+ MolecularWeight: 341.2251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC2=[NH+]C3C=CC(=CC3=C(C12)C4=CC=CC=C4)Br

Isomeric SMILES

CC1=NNC2=[NH+][C@H]3C=CC(=CC3=C([C@H]12)C4=CC=CC=C4)Br

InChI

InChI=1S/C17H14BrN3/c1-10-15-16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-17(15)21-20-10/h2-9,14-15H,1H3,(H,19,21)/p+1/t14-,15-/m0/s1