[3-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-(isoquinolin-5-ylmethyl)-methyl-azanium

Systemtic Name: [3-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-(isoquinolin-5-ylmethyl)-methyl-azanium Openeye Name: [3-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-(5-isoquinolylmethyl)-methyl-ammonium CAS Name: [3-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-(5-isoquinolinylmethyl)-methylammonium IUPAC Name: [3-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-(isoquinolin-5-ylmethyl)-methylazanium Traditional Name: [3-(6-ethyl-4-keto-1H-pyrimidin-2-yl)benzyl]-(5-isoquinolylmethyl)-methyl-ammonium Formula: C24H25N4O+ MolecularWeight: 385.4815

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+](C)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CCC1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+](C)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C24H24N4O/c1-3-21-13-23(29)27-24(26-21)18-7-4-6-17(12-18)15-28(2)16-20-9-5-8-19-14-25-11-10-22(19)20/h4-14H,3,15-16H2,1-2H3,(H,26,27,29)/p+1