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(phenylmethyl)-(3-pyrimidin-2-ylsulfanylpropyl)azanium

(phenylmethyl)-(3-pyrimidin-2-ylsulfanylpropyl)azanium

Systemtic Name:(phenylmethyl)-(3-pyrimidin-2-ylsulfanylpropyl)azanium
Openeye Name:benzyl(3-pyrimidin-2-ylsulfanylpropyl)ammonium
CAS Name:(phenylmethyl)-[3-(2-pyrimidinylthio)propyl]ammonium
IUPAC Name:benzyl(3-pyrimidin-2-ylsulfanylpropyl)azanium
Traditional Name:benzyl-[3-(2-pyrimidylthio)propyl]ammonium
Formula: C14H18N3S+
MolecularWeight: 260.37782
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C14H17N3S/c1-2-6-13(7-3-1)12-15-8-5-11-18-14-16-9-4-10-17-14/h1-4,6-7,9-10,15H,5,8,11-12H2/p+1


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