(4-methylsulfanylphenyl)methyl-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-3-yl]methyl]azanium

Systemtic Name: (4-methylsulfanylphenyl)methyl-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-3-yl]methyl]azanium Openeye Name: [2-[(3S)-3-hydroxy-1-piperidyl]-3-pyridyl]methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridinyl]methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-3-yl]methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-[(3S)-3-hydroxypiperidino]-3-pyridyl]methyl-[4-(methylthio)benzyl]ammonium Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH2+]CC2=C(N=CC=C2)N3CCCC(C3)O

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH2+]CC2=C(N=CC=C2)N3CCC[C@@H](C3)O

InChI

InChI=1S/C19H25N3OS/c1-24-18-8-6-15(7-9-18)12-20-13-16-4-2-10-21-19(16)22-11-3-5-17(23)14-22/h2,4,6-10,17,20,23H,3,5,11-14H2,1H3/p+1/t17-/m0/s1