[4-(11,11-dimethyl-9-oxidanylidene-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-4-ium-8-yl)-2-methoxy-phenyl] 2-methylpropanoate

Systemtic Name: [4-(11,11-dimethyl-9-oxidanylidene-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-4-ium-8-yl)-2-methoxy-phenyl] 2-methylpropanoate Openeye Name: [4-(11,11-dimethyl-9-oxo-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-4-ium-8-yl)-2-methoxy-phenyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [4-(11,11-dimethyl-9-oxo-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-4-ium-8-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(11,11-dimethyl-9-oxo-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-4-ium-8-yl)-2-methoxyphenyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [4-(9-keto-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-4-ium-8-yl)-2-methoxy-phenyl] ester Formula: C29H31N2O4+ MolecularWeight: 471.56744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=C4C=CC=[NH+]5)OC

Isomeric SMILES

CC(C)C(=O)OC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=C4C=CC=[NH+]5)OC

InChI

InChI=1S/C29H30N2O4/c1-16(2)28(33)35-23-11-8-17(13-24(23)34-5)27-26-19(14-29(3,4)15-22(26)32)25-18-7-6-12-30-20(18)9-10-21(25)31-27/h6-13,16,27,31H,14-15H2,1-5H3/p+1