2-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)-4H-isoquinolin-4-yl]methylideneamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)-4H-isoquinolin-4-yl]methylideneamino]ethyl-dimethyl-azanium Openeye Name: 2-[(2-benzyl-1,3-dioxo-4H-isoquinolin-4-yl)methyleneamino]ethyl-dimethyl-ammonium CAS Name: 2-[[1,3-dioxo-2-(phenylmethyl)-4H-isoquinolin-4-yl]methylideneamino]ethyl-dimethylammonium IUPAC Name: 2-[(2-benzyl-1,3-dioxo-4H-isoquinolin-4-yl)methylideneamino]ethyl-dimethylazanium Traditional Name: 2-[(2-benzyl-1,3-diketo-4H-isoquinolin-4-yl)methyleneamino]ethyl-dimethyl-ammonium Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN=CC1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN=CC1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2/c1-23(2)13-12-22-14-19-17-10-6-7-11-18(17)20(25)24(21(19)26)15-16-8-4-3-5-9-16/h3-11,14,19H,12-13,15H2,1-2H3/p+1