N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H30N5OS+ MolecularWeight: 352.518

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2CCC[NH+](C2)C3CCCCCC3

Isomeric SMILES

CN1C=NN=C1SCC(=O)N[C@H]2CCC[NH+](C2)C3CCCCCC3

InChI

InChI=1S/C17H29N5OS/c1-21-13-18-20-17(21)24-12-16(23)19-14-7-6-10-22(11-14)15-8-4-2-3-5-9-15/h13-15H,2-12H2,1H3,(H,19,23)/p+1/t14-/m0/s1