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

Systemtic Name: 3-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)-4H-isoquinolin-4-yl]methylideneamino]propyl-dimethyl-azanium Openeye Name: 3-[(2-benzyl-1,3-dioxo-4H-isoquinolin-4-yl)methyleneamino]propyl-dimethyl-ammonium CAS Name: 3-[[1,3-dioxo-2-(phenylmethyl)-4H-isoquinolin-4-yl]methylideneamino]propyl-dimethylammonium IUPAC Name: 3-[(2-benzyl-1,3-dioxo-4H-isoquinolin-4-yl)methylideneamino]propyl-dimethylazanium Traditional Name: 3-[(2-benzyl-1,3-diketo-4H-isoquinolin-4-yl)methyleneamino]propyl-dimethyl-ammonium Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2/c1-24(2)14-8-13-23-15-20-18-11-6-7-12-19(18)21(26)25(22(20)27)16-17-9-4-3-5-10-17/h3-7,9-12,15,20H,8,13-14,16H2,1-2H3/p+1