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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=[NH+]C3=C2CCC4=CC=CC=C43)N)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=[NH+]C3=C2CCC4=CC=CC=C43)N)C#N)OC

InChI

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