[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidyl]-(4-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidinyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidyl]-[4-(methylthio)phenyl]methanone Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2CCCN(C2)CC3=[NH+]C=CN3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)[C@H]2CCCN(C2)CC3=[NH+]C=CN3

InChI

InChI=1S/C17H21N3OS/c1-22-15-6-4-13(5-7-15)17(21)14-3-2-10-20(11-14)12-16-18-8-9-19-16/h4-9,14H,2-3,10-12H2,1H3,(H,18,19)/p+1/t14-/m0/s1