2-azanyl-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C18H20N3O2+ MolecularWeight: 310.3703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=[NH+]C3=C2CCCC3)N)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=[NH+]C3=C2CCCC3)N)C#N)OC

InChI

InChI=1S/C18H19N3O2/c1-22-15-8-7-11(9-16(15)23-2)17-12-5-3-4-6-14(12)21-18(20)13(17)10-19/h7-9H,3-6H2,1-2H3,(H2,20,21)/p+1