3-[(9,10-dimethoxy-4-oxidanylidene-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]propyl-diethyl-azanium

Systemtic Name: 3-[(9,10-dimethoxy-4-oxidanylidene-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]propyl-diethyl-azanium Openeye Name: 3-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]propyl-diethyl-ammonium CAS Name: 3-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]propyl-diethylammonium IUPAC Name: 3-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]propyl-diethylazanium Traditional Name: diethyl-[3-[(4-keto-9,10-dimethoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-2-yl)amino]propyl]ammonium Formula: C21H31N4O3+ MolecularWeight: 387.49584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC1=NC(=O)N2CCC3=CC(=C(C=C3C2=C1)OC)OC

Isomeric SMILES

CC[NH+](CC)CCCNC1=NC(=O)N2CCC3=CC(=C(C=C3C2=C1)OC)OC

InChI

InChI=1S/C21H30N4O3/c1-5-24(6-2)10-7-9-22-20-14-17-16-13-19(28-4)18(27-3)12-15(16)8-11-25(17)21(26)23-20/h12-14H,5-11H2,1-4H3,(H,22,23,26)/p+1