6-azanyl-8-phenyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-phenyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-phenyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile CAS Name: 6-amino-8-phenyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-phenyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-phenyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Formula: C18H16N5+ MolecularWeight: 302.35314

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(C[NH2+]1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3

Isomeric SMILES

C1C=C2C(C[NH2+]1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3

InChI

InChI=1S/C18H15N5/c19-8-14-13-6-7-23-9-15(13)16(12-4-2-1-3-5-12)18(10-20,11-21)17(14)22/h1-6,15-16,23H,7,9,22H2/p+1