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

Systemtic Name: [2-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone Openeye Name: [2-[1-[(1S)-1-methyl-3-methylsulfanyl-propyl]piperidin-1-ium-4-yl]oxyphenyl]-(1-piperidyl)methanone CAS Name: [2-[[1-[(2S)-4-(methylthio)butan-2-yl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [2-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [2-[1-[(1S)-1-methyl-3-(methylthio)propyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidino-methanone Formula: C22H35N2O2S+ MolecularWeight: 391.5905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O2S/c1-18(12-17-27-2)23-15-10-19(11-16-23)26-21-9-5-4-8-20(21)22(25)24-13-6-3-7-14-24/h4-5,8-9,18-19H,3,6-7,10-17H2,1-2H3/p+1/t18-/m0/s1