[(E)-3-(4-chlorophenyl)prop-2-enyl]-(3-pyrimidin-2-ylsulfanylpropyl)azanium

Systemtic Name: [(E)-3-(4-chlorophenyl)prop-2-enyl]-(3-pyrimidin-2-ylsulfanylpropyl)azanium Openeye Name: [(E)-3-(4-chlorophenyl)allyl]-(3-pyrimidin-2-ylsulfanylpropyl)ammonium CAS Name: [(E)-3-(4-chlorophenyl)prop-2-enyl]-[3-(2-pyrimidinylthio)propyl]ammonium IUPAC Name: [(E)-3-(4-chlorophenyl)prop-2-enyl]-(3-pyrimidin-2-ylsulfanylpropyl)azanium Traditional Name: [(E)-3-(4-chlorophenyl)allyl]-[3-(2-pyrimidylthio)propyl]ammonium Formula: C16H19ClN3S+ MolecularWeight: 320.86016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCCC[NH2+]CC=CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CN=C(N=C1)SCCC[NH2+]C/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H18ClN3S/c17-15-7-5-14(6-8-15)4-1-9-18-10-3-13-21-16-19-11-2-12-20-16/h1-2,4-8,11-12,18H,3,9-10,13H2/p+1/b4-1+