[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]-(2-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]-[2-(methylthio)phenyl]methanone Formula: C19H29N2OS+ MolecularWeight: 333.51136

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2CCCC(C2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

C[NH+]1CCC(CC1)N2CCC[C@@H](C2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C19H28N2OS/c1-20-12-9-16(10-13-20)21-11-5-6-15(14-21)19(22)17-7-3-4-8-18(17)23-2/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3/p+1/t15-/m0/s1