4-azanyl-9,10-dimethoxy-2-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile

Systemtic Name: 4-azanyl-9,10-dimethoxy-2-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile Openeye Name: 4-amino-9,10-dimethoxy-2-(2-thienyl)-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile CAS Name: 4-amino-9,10-dimethoxy-2-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile IUPAC Name: 4-amino-9,10-dimethoxy-2-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile Traditional Name: 4-amino-9,10-dimethoxy-2-(2-thienyl)-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile Formula: C20H18N3O2S+ MolecularWeight: 364.44082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC[N+]3=C2C=C(C(=C3N)C#N)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[N+]3=C2C=C(C(=C3N)C#N)C4=CC=CS4)OC

InChI

InChI=1S/C20H17N3O2S/c1-24-17-8-12-5-6-23-16(13(12)10-18(17)25-2)9-14(15(11-21)20(23)22)19-4-3-7-26-19/h3-4,7-10,22H,5-6H2,1-2H3/p+1