6-azanyl-8-(3-hydroxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(3-hydroxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(3-hydroxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(3-hydroxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(3-hydroxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-(3-hydroxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Formula: C19H18N5O+ MolecularWeight: 332.37912

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)O

Isomeric SMILES

C[NH+]1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)O

InChI

InChI=1S/C19H17N5O/c1-24-6-5-14-15(8-20)18(23)19(10-21,11-22)17(16(14)9-24)12-3-2-4-13(25)7-12/h2-5,7,16-17,25H,6,9,23H2,1H3/p+1