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

Systemtic Name: [(1S)-2-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-4H-isoquinolin-4-yl]methylideneamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[1,3-dioxo-2-(2-pyridyl)-4H-isoquinolin-4-yl]methyleneamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[1,3-dioxo-2-(2-pyridinyl)-4H-isoquinolin-4-yl]methylideneamino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(1,3-dioxo-2-pyridin-2-yl-4H-isoquinolin-4-yl)methylideneamino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[1,3-diketo-2-(2-pyridyl)-4H-isoquinolin-4-yl]methyleneamino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C25H25N4O2+ MolecularWeight: 413.4916

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)[C@H](CN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C25H24N4O2/c1-28(2)22(18-10-4-3-5-11-18)17-26-16-21-19-12-6-7-13-20(19)24(30)29(25(21)31)23-14-8-9-15-27-23/h3-16,21-22H,17H2,1-2H3/p+1/t21?,22-/m1/s1