(3-methylsulfanylphenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: (3-methylsulfanylphenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: (3-methylsulfanylphenyl)methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: [3-(methylthio)phenyl]methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: (3-methylsulfanylphenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: [3-(methylthio)benzyl]-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C17H23N4S+ MolecularWeight: 315.45632

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C[NH2+]C2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

CSC1=CC=CC(=C1)C[NH2+][C@H]2CCCN(C2)C3=NC=CC=N3

InChI

InChI=1S/C17H22N4S/c1-22-16-7-2-5-14(11-16)12-20-15-6-3-10-21(13-15)17-18-8-4-9-19-17/h2,4-5,7-9,11,15,20H,3,6,10,12-13H2,1H3/p+1/t15-/m0/s1