2-(2-methoxy-1-oxidanyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-12-yl)ethanoic acid

Systemtic Name: 2-(2-methoxy-1-oxidanyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-12-yl)ethanoic acid Openeye Name: 2-(1-hydroxy-2-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-12-yl)acetic acid CAS Name: 2-(1-hydroxy-2-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-12-yl)acetic acid IUPAC Name: 2-(1-hydroxy-2-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-12-yl)acetic acid Traditional Name: 2-(1-hydroxy-2-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-12-yl)acetic acid Formula: C21H16NO6+ MolecularWeight: 378.35484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C[N+](=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)CC(=O)O)O

Isomeric SMILES

COC1=C(C2=C[N+](=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)CC(=O)O)O

InChI

InChI=1S/C21H15NO6/c1-26-16-5-4-12-13-3-2-11-6-17-18(28-10-27-17)7-14(11)20(13)22(9-19(23)24)8-15(12)21(16)25/h2-8H,9-10H2,1H3,(H,23,24)/p+1