4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-1-ium-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: 4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-1-ium-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 4-[1-[(1S)-1-methyl-3-methylsulfanyl-propyl]piperidin-1-ium-4-yl]oxy-N-(4-pyridylmethyl)benzamide CAS Name: 4-[[1-[(2S)-4-(methylthio)butan-2-yl]-4-piperidin-1-iumyl]oxy]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-1-ium-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 4-[1-[(1S)-1-methyl-3-(methylthio)propyl]piperidin-1-ium-4-yl]oxy-N-(4-pyridylmethyl)benzamide Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSC)[NH+]1CCC(CC1)OC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

C[C@@H](CCSC)[NH+]1CCC(CC1)OC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C23H31N3O2S/c1-18(11-16-29-2)26-14-9-22(10-15-26)28-21-5-3-20(4-6-21)23(27)25-17-19-7-12-24-13-8-19/h3-8,12-13,18,22H,9-11,14-17H2,1-2H3,(H,25,27)/p+1/t18-/m0/s1