(4-ethoxy-3-methoxy-phenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-[3-(2-pyrimidinylthio)propyl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-[3-(2-pyrimidylthio)propyl]ammonium Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O2S/c1-3-22-15-7-6-14(12-16(15)21-2)13-18-8-5-11-23-17-19-9-4-10-20-17/h4,6-7,9-10,12,18H,3,5,8,11,13H2,1-2H3/p+1