[4-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[1-[(1S)-1-methyl-2-methylsulfanyl-ethyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[1-[(2S)-1-(methylthio)propan-2-yl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[1-[(1S)-1-methyl-2-(methylthio)ethyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C20H31N2O2S+ MolecularWeight: 363.53734

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)[NH+]1CCC(CC1)OC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

C[C@@H](CSC)[NH+]1CCC(CC1)OC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C20H30N2O2S/c1-16(15-25-2)21-13-9-19(10-14-21)24-18-7-5-17(6-8-18)20(23)22-11-3-4-12-22/h5-8,16,19H,3-4,9-15H2,1-2H3/p+1/t16-/m0/s1