2-(4-methylsulfanylphenyl)-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(4-methylsulfanylphenyl)-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]ethanone Openeye Name: 2-(4-methylsulfanylphenyl)-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)-1-piperidyl]ethanone CAS Name: 2-[4-(methylthio)phenyl]-1-[(3S)-3-(1-pyrrolidin-1-iumylmethyl)-1-piperidinyl]ethanone IUPAC Name: 2-(4-methylsulfanylphenyl)-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]ethanone Traditional Name: 2-[4-(methylthio)phenyl]-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidino]ethanone Formula: C19H29N2OS+ MolecularWeight: 333.51136

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC(=O)N2CCCC(C2)C[NH+]3CCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)CC(=O)N2CCC[C@@H](C2)C[NH+]3CCCC3

InChI

InChI=1S/C19H28N2OS/c1-23-18-8-6-16(7-9-18)13-19(22)21-12-4-5-17(15-21)14-20-10-2-3-11-20/h6-9,17H,2-5,10-15H2,1H3/p+1/t17-/m1/s1