2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide Formula: C18H26N3O2S+ MolecularWeight: 348.48294

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C18H25N3O2S/c1-14-7-4-5-11-21(14)12-6-10-19-17(22)13-24-18-20-15-8-2-3-9-16(15)23-18/h2-3,8-9,14H,4-7,10-13H2,1H3,(H,19,22)/p+1/t14-/m0/s1