(3-ethoxyphenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium

Systemtic Name: (3-ethoxyphenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Openeye Name: (3-ethoxyphenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)ammonium CAS Name: (3-ethoxyphenyl)methyl-[3-(2-pyrimidinylthio)propyl]ammonium IUPAC Name: (3-ethoxyphenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Traditional Name: (3-ethoxybenzyl)-[3-(2-pyrimidylthio)propyl]ammonium Formula: C16H22N3OS+ MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C[NH2+]CCCSC2=NC=CC=N2

Isomeric SMILES

CCOC1=CC=CC(=C1)C[NH2+]CCCSC2=NC=CC=N2

InChI

InChI=1S/C16H21N3OS/c1-2-20-15-7-3-6-14(12-15)13-17-8-5-11-21-16-18-9-4-10-19-16/h3-4,6-7,9-10,12,17H,2,5,8,11,13H2,1H3/p+1