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

Systemtic Name: [2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone Openeye Name: [2-[1-[(1S)-1-methyl-2-methylsulfanyl-ethyl]piperidin-1-ium-4-yl]oxyphenyl]-(1-piperidyl)methanone CAS Name: [2-[[1-[(2S)-1-(methylthio)propan-2-yl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [2-[1-[(1S)-1-methyl-2-(methylthio)ethyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidino-methanone Formula: C21H33N2O2S+ MolecularWeight: 377.56392

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)[NH+]1CCC(CC1)OC2=CC=CC=C2C(=O)N3CCCCC3

Isomeric SMILES

C[C@@H](CSC)[NH+]1CCC(CC1)OC2=CC=CC=C2C(=O)N3CCCCC3

InChI

InChI=1S/C21H32N2O2S/c1-17(16-26-2)22-14-10-18(11-15-22)25-20-9-5-4-8-19(20)21(24)23-12-6-3-7-13-23/h4-5,8-9,17-18H,3,6-7,10-16H2,1-2H3/p+1/t17-/m0/s1