12-(4-ethoxyphenyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-4-ium-11-one

Systemtic Name: 12-(4-ethoxyphenyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-4-ium-11-one Openeye Name: 12-(4-ethoxyphenyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-4-ium-11-one CAS Name: 12-(4-ethoxyphenyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-4-ium-11-one IUPAC Name: 12-(4-ethoxyphenyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-4-ium-11-one Traditional Name: 9,9-dimethyl-12-p-phenetyl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-4-ium-11-one Formula: C26H27N2O2+ MolecularWeight: 399.50478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C5=C(C=C4)[NH+]=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C5=C(C=C4)[NH+]=CC=C5

InChI

InChI=1S/C26H26N2O2/c1-4-30-17-9-7-16(8-10-17)23-24-18-6-5-13-27-19(18)11-12-20(24)28-21-14-26(2,3)15-22(29)25(21)23/h5-13,23,28H,4,14-15H2,1-3H3/p+1