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

Systemtic Name: 4-azanyl-2-(4-ethoxyphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile Openeye Name: 4-amino-2-(4-ethoxyphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile CAS Name: 4-amino-2-(4-ethoxyphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile IUPAC Name: 4-amino-2-(4-ethoxyphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile Traditional Name: 4-amino-2-p-phenetyl-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile Formula: C23H20N3O3+ MolecularWeight: 386.4232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O3/c1-2-27-16-5-3-14(4-6-16)17-10-20-18-11-22-21(28-13-29-22)9-15(18)7-8-26(20)23(25)19(17)12-24/h3-6,9-11,25H,2,7-8,13H2,1H3/p+1