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

Systemtic Name: 4-azanyl-2-(4-ethoxy-3-methoxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile Openeye Name: 4-amino-2-(4-ethoxy-3-methoxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile CAS Name: 4-amino-2-(4-ethoxy-3-methoxyphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile IUPAC Name: 4-amino-2-(4-ethoxy-3-methoxyphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile Traditional Name: 4-amino-2-(4-ethoxy-3-methoxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile Formula: C24H22N3O4+ MolecularWeight: 416.44918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=CC3=[N+](CCC4=CC5=C(C=C43)OCO5)C(=C2C#N)N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=CC3=[N+](CCC4=CC5=C(C=C43)OCO5)C(=C2C#N)N)OC

InChI

InChI=1S/C24H21N3O4/c1-3-29-20-5-4-14(8-21(20)28-2)16-10-19-17-11-23-22(30-13-31-23)9-15(17)6-7-27(19)24(26)18(16)12-25/h4-5,8-11,26H,3,6-7,13H2,1-2H3/p+1