2-azanyl-4-(3-ethoxy-4-oxidanyl-phenyl)-5,6-dihydrobenzo[h]quinolin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-ethoxy-4-oxidanyl-phenyl)-5,6-dihydrobenzo[h]quinolin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(3-ethoxy-4-hydroxy-phenyl)-5,6-dihydrobenzo[h]quinolin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6-dihydrobenzo[h]quinolin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6-dihydrobenzo[h]quinolin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(3-ethoxy-4-hydroxy-phenyl)-5,6-dihydrobenzo[h]quinolin-1-ium-3-carbonitrile Formula: C22H20N3O2+ MolecularWeight: 358.4131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=C(C(=[NH+]C3=C2CCC4=CC=CC=C43)N)C#N)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=C(C(=[NH+]C3=C2CCC4=CC=CC=C43)N)C#N)O

InChI

InChI=1S/C22H19N3O2/c1-2-27-19-11-14(8-10-18(19)26)20-16-9-7-13-5-3-4-6-15(13)21(16)25-22(24)17(20)12-23/h3-6,8,10-11,26H,2,7,9H2,1H3,(H2,24,25)/p+1