4-[(9,10-dimethoxy-4-oxidanylidene-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]butylazanium

Systemtic Name: 4-[(9,10-dimethoxy-4-oxidanylidene-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]butylazanium Openeye Name: 4-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]butylammonium CAS Name: 4-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]butylammonium IUPAC Name: 4-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]butylazanium Traditional Name: 4-[(4-keto-9,10-dimethoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-2-yl)amino]butylammonium Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NCCCC[NH3+])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NCCCC[NH3+])OC

InChI

InChI=1S/C18H24N4O3/c1-24-15-9-12-5-8-22-14(13(12)10-16(15)25-2)11-17(21-18(22)23)20-7-4-3-6-19/h9-11H,3-8,19H2,1-2H3,(H,20,21,23)/p+1