6-azanyl-8-(4-nitrophenyl)-2-(phenylmethyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(4-nitrophenyl)-2-(phenylmethyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Openeye Name: 6-amino-2-benzyl-8-(4-nitrophenyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(4-nitrophenyl)-2-(phenylmethyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile IUPAC Name: 6-amino-2-benzyl-8-(4-nitrophenyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Traditional Name: 6-amino-2-benzyl-8-(4-nitrophenyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Formula: C25H21N6O2+ MolecularWeight: 437.47324

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(C[NH+]1CC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C=C2C(C[NH+]1CC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H20N6O2/c26-12-21-20-10-11-30(13-17-4-2-1-3-5-17)14-22(20)23(25(15-27,16-28)24(21)29)18-6-8-19(9-7-18)31(32)33/h1-10,22-23H,11,13-14,29H2/p+1