2-ethyl-8-methoxy-3-oxidanylidene-4-(phenylmethyl)-2,4,4a,5,6,10b-hexahydrobenzo[f]isoquinolin-3-ium-1-one

Systemtic Name: 2-ethyl-8-methoxy-3-oxidanylidene-4-(phenylmethyl)-2,4,4a,5,6,10b-hexahydrobenzo[f]isoquinolin-3-ium-1-one Openeye Name: 4-benzyl-2-ethyl-8-methoxy-3-oxo-2,4,4a,5,6,10b-hexahydrobenzo[f]isoquinolin-3-ium-1-one CAS Name: 2-ethyl-8-methoxy-3-oxo-4-(phenylmethyl)-2,4,4a,5,6,10b-hexahydrobenzo[f]isoquinolin-3-ium-1-one IUPAC Name: 4-benzyl-2-ethyl-8-methoxy-3-oxo-2,4,4a,5,6,10b-hexahydrobenzo[f]isoquinolin-3-ium-1-one Traditional Name: 4-benzyl-2-ethyl-3-keto-8-methoxy-2,4,4a,5,6,10b-hexahydrobenz[f]isoquinolin-3-ium-1-one Formula: C23H26NO3+ MolecularWeight: 364.45744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)C2C(CCC3=C2C=CC(=C3)OC)C([N+]1=O)CC4=CC=CC=C4

Isomeric SMILES

CCC1C(=O)C2C(CCC3=C2C=CC(=C3)OC)C([N+]1=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H26NO3/c1-3-20-23(25)22-18-12-10-17(27-2)14-16(18)9-11-19(22)21(24(20)26)13-15-7-5-4-6-8-15/h4-8,10,12,14,19-22H,3,9,11,13H2,1-2H3/q+1