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

Systemtic Name: [(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[(1,5-dimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-[2-(methylthio)phenyl]methanone Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C[NH+]2CCCC(C2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CC1=C(C=NN1C)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C19H25N3OS/c1-14-16(11-20-21(14)2)13-22-10-6-7-15(12-22)19(23)17-8-4-5-9-18(17)24-3/h4-5,8-9,11,15H,6-7,10,12-13H2,1-3H3/p+1/t15-/m0/s1