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

Systemtic Name: 8-ethoxy-2-ethyl-3-oxidanylidene-4-(phenylmethyl)-2,4,4a,5,6,10b-hexahydrobenzo[f]isoquinolin-3-ium-1-one Openeye Name: 4-benzyl-8-ethoxy-2-ethyl-3-oxo-2,4,4a,5,6,10b-hexahydrobenzo[f]isoquinolin-3-ium-1-one CAS Name: 8-ethoxy-2-ethyl-3-oxo-4-(phenylmethyl)-2,4,4a,5,6,10b-hexahydrobenzo[f]isoquinolin-3-ium-1-one IUPAC Name: 4-benzyl-8-ethoxy-2-ethyl-3-oxo-2,4,4a,5,6,10b-hexahydrobenzo[f]isoquinolin-3-ium-1-one Traditional Name: 4-benzyl-8-ethoxy-2-ethyl-3-keto-2,4,4a,5,6,10b-hexahydrobenz[f]isoquinolin-3-ium-1-one Formula: C24H28NO3+ MolecularWeight: 378.48402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28NO3/c1-3-21-24(26)23-19-13-11-18(28-4-2)15-17(19)10-12-20(23)22(25(21)27)14-16-8-6-5-7-9-16/h5-9,11,13,15,20-23H,3-4,10,12,14H2,1-2H3/q+1