[3-[6-(aminomethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(3-phenoxypropyl)azanium

Systemtic Name: [3-[6-(aminomethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(3-phenoxypropyl)azanium Openeye Name: [3-[6-(aminomethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(3-phenoxypropyl)ammonium CAS Name: [3-[6-(aminomethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(3-phenoxypropyl)ammonium IUPAC Name: [3-[6-(aminomethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(3-phenoxypropyl)azanium Traditional Name: [3-[6-(aminomethyl)-4-keto-1H-pyrimidin-2-yl]benzyl]-methyl-(3-phenoxypropyl)ammonium Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCOC1=CC=CC=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)CN

Isomeric SMILES

C[NH+](CCCOC1=CC=CC=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)CN

InChI

InChI=1S/C22H26N4O2/c1-26(11-6-12-28-20-9-3-2-4-10-20)16-17-7-5-8-18(13-17)22-24-19(15-23)14-21(27)25-22/h2-5,7-10,13-14H,6,11-12,15-16,23H2,1H3,(H,24,25,27)/p+1