4-azanyl-2-(4-methoxy-3-oxidanyl-phenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile

Systemtic Name: 4-azanyl-2-(4-methoxy-3-oxidanyl-phenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile Openeye Name: 4-amino-2-(3-hydroxy-4-methoxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile CAS Name: 4-amino-2-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile IUPAC Name: 4-amino-2-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile Traditional Name: 4-amino-2-(3-hydroxy-4-methoxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile Formula: C22H18N3O4+ MolecularWeight: 388.39602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=[N+](CCC4=CC5=C(C=C43)OCO5)C(=C2C#N)N)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=[N+](CCC4=CC5=C(C=C43)OCO5)C(=C2C#N)N)O

InChI

InChI=1S/C22H17N3O4/c1-27-19-3-2-12(6-18(19)26)14-8-17-15-9-21-20(28-11-29-21)7-13(15)4-5-25(17)22(24)16(14)10-23/h2-3,6-9,24,26H,4-5,11H2,1H3/p+1