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

Systemtic Name: 4-azanyl-2-(4-methylphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile Openeye Name: 4-amino-2-(p-tolyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile CAS Name: 4-amino-2-(4-methylphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile IUPAC Name: 4-amino-2-(4-methylphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile Traditional Name: 4-amino-2-(p-tolyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile Formula: C22H18N3O2+ MolecularWeight: 356.39722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=[N+](CCC4=CC5=C(C=C43)OCO5)C(=C2C#N)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=[N+](CCC4=CC5=C(C=C43)OCO5)C(=C2C#N)N

InChI

InChI=1S/C22H17N3O2/c1-13-2-4-14(5-3-13)16-9-19-17-10-21-20(26-12-27-21)8-15(17)6-7-25(19)22(24)18(16)11-23/h2-5,8-10,24H,6-7,12H2,1H3/p+1