3-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-4H-isoquinolin-4-yl]methylideneamino]propyl-tert-butyl-azanium

Systemtic Name: 3-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-4H-isoquinolin-4-yl]methylideneamino]propyl-tert-butyl-azanium Openeye Name: tert-butyl-[3-[[1,3-dioxo-2-(2-pyridyl)-4H-isoquinolin-4-yl]methyleneamino]propyl]ammonium CAS Name: tert-butyl-[3-[[1,3-dioxo-2-(2-pyridinyl)-4H-isoquinolin-4-yl]methylideneamino]propyl]ammonium IUPAC Name: tert-butyl-[3-[(1,3-dioxo-2-pyridin-2-yl-4H-isoquinolin-4-yl)methylideneamino]propyl]azanium Traditional Name: tert-butyl-[3-[[1,3-diketo-2-(2-pyridyl)-4H-isoquinolin-4-yl]methyleneamino]propyl]ammonium Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)[NH2+]CCCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=N3

InChI

InChI=1S/C22H26N4O2/c1-22(2,3)25-14-8-12-23-15-18-16-9-4-5-10-17(16)20(27)26(21(18)28)19-11-6-7-13-24-19/h4-7,9-11,13,15,18,25H,8,12,14H2,1-3H3/p+1