4-(3,3-dimethyl-1-oxidanylidene-2,4,5,6-tetrahydrobenzo[a]phenanthridin-6-ium-5-yl)-2-methoxy-phenolate

Systemtic Name: 4-(3,3-dimethyl-1-oxidanylidene-2,4,5,6-tetrahydrobenzo[a]phenanthridin-6-ium-5-yl)-2-methoxy-phenolate Openeye Name: 4-(3,3-dimethyl-1-oxo-2,4,5,6-tetrahydrobenzo[a]phenanthridin-6-ium-5-yl)-2-methoxy-phenolate CAS Name: 4-(3,3-dimethyl-1-oxo-2,4,5,6-tetrahydrobenzo[a]phenanthridin-6-ium-5-yl)-2-methoxyphenolate IUPAC Name: 4-(3,3-dimethyl-1-oxo-2,4,5,6-tetrahydrobenzo[a]phenanthridin-6-ium-5-yl)-2-methoxyphenolate Traditional Name: 4-(1-keto-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-6-ium-5-yl)-2-methoxy-phenolate Formula: C26H25NO3 MolecularWeight: 399.4816

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C3=C(C=CC4=CC=CC=C43)[NH2+]C2C5=CC(=C(C=C5)[O-])OC)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C3=C(C=CC4=CC=CC=C43)[NH2+]C2C5=CC(=C(C=C5)[O-])OC)C

InChI

InChI=1S/C26H25NO3/c1-26(2)13-18-24(21(29)14-26)23-17-7-5-4-6-15(17)8-10-19(23)27-25(18)16-9-11-20(28)22(12-16)30-3/h4-12,25,27-28H,13-14H2,1-3H3