methyl 4-(8,9-dimethoxy-5-oxidanidyl-1,2,3,4,4a,10b-hexahydrophenanthridin-5-ium-6-yl)benzoate

Systemtic Name: methyl 4-(8,9-dimethoxy-5-oxidanidyl-1,2,3,4,4a,10b-hexahydrophenanthridin-5-ium-6-yl)benzoate Openeye Name: methyl 4-(8,9-dimethoxy-5-oxido-1,2,3,4,4a,10b-hexahydrophenanthridin-5-ium-6-yl)benzoate CAS Name: 4-(8,9-dimethoxy-5-oxido-1,2,3,4,4a,10b-hexahydrophenanthridin-5-ium-6-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(8,9-dimethoxy-5-oxido-1,2,3,4,4a,10b-hexahydrophenanthridin-5-ium-6-yl)benzoate Traditional Name: 4-(8,9-dimethoxy-5-oxido-1,2,3,4,4a,10b-hexahydrophenanthridin-5-ium-6-yl)benzoic acid methyl ester Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3CCCCC3[N+](=C2C4=CC=C(C=C4)C(=O)OC)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3CCCCC3[N+](=C2C4=CC=C(C=C4)C(=O)OC)[O-])OC

InChI

InChI=1S/C23H25NO5/c1-27-20-12-17-16-6-4-5-7-19(16)24(26)22(18(17)13-21(20)28-2)14-8-10-15(11-9-14)23(25)29-3/h8-13,16,19H,4-7H2,1-3H3