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

Systemtic Name: [(1R)-2-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-4H-isoquinolin-4-yl]methylideneamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[[1,3-dioxo-2-(2-pyridyl)-4H-isoquinolin-4-yl]methyleneamino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[1,3-dioxo-2-(2-pyridinyl)-4H-isoquinolin-4-yl]methylideneamino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[(1,3-dioxo-2-pyridin-2-yl-4H-isoquinolin-4-yl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[[1,3-diketo-2-(2-pyridyl)-4H-isoquinolin-4-yl]methyleneamino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C23H23N4O2S+ MolecularWeight: 419.51932

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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=CS4

Isomeric SMILES

C[NH+](C)[C@H](CN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=N3)C4=CC=CS4

InChI

InChI=1S/C23H22N4O2S/c1-26(2)19(20-10-7-13-30-20)15-24-14-18-16-8-3-4-9-17(16)22(28)27(23(18)29)21-11-5-6-12-25-21/h3-14,18-19H,15H2,1-2H3/p+1/t18?,19-/m1/s1