2-methoxy-12-prop-2-enyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride

Systemtic Name: 2-methoxy-12-prop-2-enyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride Openeye Name: 12-allyl-2-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride CAS Name: 2-methoxy-12-prop-2-enyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride IUPAC Name: 2-methoxy-12-prop-2-enyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride Traditional Name: 12-allyl-2-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride Formula: C22H18ClNO4 MolecularWeight: 395.83562

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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=C)O.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C22H17NO4.ClH/c1-3-8-23-11-17-14(6-7-18(25-2)22(17)24)15-5-4-13-9-19-20(27-12-26-19)10-16(13)21(15)23;/h3-7,9-11H,1,8,12H2,2H3;1H