3-oxidanidyl-3-(phenylmethyl)-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinolin-3-ium-1-olate

Systemtic Name: 3-oxidanidyl-3-(phenylmethyl)-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinolin-3-ium-1-olate Openeye Name: 3-benzyl-3-oxido-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinolin-3-ium-1-olate CAS Name: 3-oxido-3-(phenylmethyl)-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinolin-3-ium-1-olate IUPAC Name: 3-benzyl-3-oxido-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinolin-3-ium-1-olate Traditional Name: 3-benzyl-3-oxido-2,4,4a,5,6,10b-hexahydro-1H-benz[f]isoquinolin-3-ium-1-olate Formula: C20H22NO2- MolecularWeight: 308.39418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C3C1C[N+](CC3[O-])(CC4=CC=CC=C4)[O-]

Isomeric SMILES

C1CC2=CC=CC=C2C3C1C[N+](CC3[O-])(CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C20H22NO2/c22-19-14-21(23,12-15-6-2-1-3-7-15)13-17-11-10-16-8-4-5-9-18(16)20(17)19/h1-9,17,19-20H,10-14H2/q-1