[4-oxidanylidene-2-[3-[[phenethyl(propyl)amino]methyl]phenyl]-1H-pyrimidin-6-yl]methylazanium

Systemtic Name: [4-oxidanylidene-2-[3-[[phenethyl(propyl)amino]methyl]phenyl]-1H-pyrimidin-6-yl]methylazanium Openeye Name: [4-oxo-2-[3-[[phenethyl(propyl)amino]methyl]phenyl]-1H-pyrimidin-6-yl]methylammonium CAS Name: [4-oxo-2-[3-[[phenethyl(propyl)amino]methyl]phenyl]-1H-pyrimidin-6-yl]methylammonium IUPAC Name: [4-oxo-2-[3-[[phenethyl(propyl)amino]methyl]phenyl]-1H-pyrimidin-6-yl]methylazanium Traditional Name: [4-keto-2-[3-[[phenethyl(propyl)amino]methyl]phenyl]-1H-pyrimidin-6-yl]methylammonium Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC1=CC=CC=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C[NH3+]

Isomeric SMILES

CCCN(CCC1=CC=CC=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C[NH3+]

InChI

InChI=1S/C23H28N4O/c1-2-12-27(13-11-18-7-4-3-5-8-18)17-19-9-6-10-20(14-19)23-25-21(16-24)15-22(28)26-23/h3-10,14-15H,2,11-13,16-17,24H2,1H3,(H,25,26,28)/p+1