2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(1S)-1-methylbutyl]acetamide Formula: C19H28N3OS+ MolecularWeight: 346.51012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C[NH+]1CCC(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC[C@H](C)NC(=O)C[NH+]1CCC(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H27N3OS/c1-3-6-14(2)20-18(23)13-22-11-9-15(10-12-22)19-21-16-7-4-5-8-17(16)24-19/h4-5,7-8,14-15H,3,6,9-13H2,1-2H3,(H,20,23)/p+1/t14-/m0/s1