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

Systemtic Name: 4-azanyl-2-(4-methylsulfanylphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile Openeye Name: 4-amino-2-(4-methylsulfanylphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile CAS Name: 4-amino-2-[4-(methylthio)phenyl]-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile IUPAC Name: 4-amino-2-(4-methylsulfanylphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile Traditional Name: 4-amino-2-[4-(methylthio)phenyl]-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile Formula: C22H18N3O2S+ MolecularWeight: 388.46222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC3=[N+](CCC4=CC5=C(C=C43)OCO5)C(=C2C#N)N

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC3=[N+](CCC4=CC5=C(C=C43)OCO5)C(=C2C#N)N

InChI

InChI=1S/C22H17N3O2S/c1-28-15-4-2-13(3-5-15)16-9-19-17-10-21-20(26-12-27-21)8-14(17)6-7-25(19)22(24)18(16)11-23/h2-5,8-10,24H,6-7,12H2,1H3/p+1