[(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3-piperidin-1-iumyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]-[4-(methylthio)phenyl]methanone Formula: C18H24N3OS+ MolecularWeight: 330.46766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1)C[NH+]2CCCC(C2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=NC=C(N1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C18H23N3OS/c1-13-19-10-16(20-13)12-21-9-3-4-15(11-21)18(22)14-5-7-17(23-2)8-6-14/h5-8,10,15H,3-4,9,11-12H2,1-2H3,(H,19,20)/p+1/t15-/m0/s1