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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=C(C(=[NH+]C3=C2CCCC3)N)C#N)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=C(C(=[NH+]C3=C2CCCC3)N)C#N)O

InChI

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