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

Systemtic Name: 2-azanyl-4-(3-methoxy-4-oxidanyl-phenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(4-hydroxy-3-methoxy-phenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(4-hydroxy-3-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(4-hydroxy-3-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(4-hydroxy-3-methoxy-phenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C17H18N3O2+ MolecularWeight: 296.34372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2/c1-22-15-8-10(6-7-14(15)21)16-11-4-2-3-5-13(11)20-17(19)12(16)9-18/h6-8,21H,2-5H2,1H3,(H2,19,20)/p+1