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

Systemtic Name: 4-azanyl-2-(3-methoxyphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile Openeye Name: 4-amino-2-(3-methoxyphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile CAS Name: 4-amino-2-(3-methoxyphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile IUPAC Name: 4-amino-2-(3-methoxyphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile Traditional Name: 4-amino-2-(3-methoxyphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile Formula: C22H18N3O3+ MolecularWeight: 372.39662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O3/c1-26-15-4-2-3-13(7-15)16-9-19-17-10-21-20(27-12-28-21)8-14(17)5-6-25(19)22(24)18(16)11-23/h2-4,7-10,24H,5-6,12H2,1H3/p+1