2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2S)-5-methylhexan-2-yl]ethanamide

Systemtic Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2S)-5-methylhexan-2-yl]ethanamide Openeye Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(1S)-1,4-dimethylpentyl]acetamide CAS Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(2S)-5-methylhexan-2-yl]acetamide IUPAC Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide Traditional Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(1S)-1,4-dimethylpentyl]acetamide Formula: C21H32N3OS+ MolecularWeight: 374.56328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)C[NH+]1CCCC(C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)C[NH+]1CCC[C@@H](C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H31N3OS/c1-15(2)10-11-16(3)22-20(25)14-24-12-6-7-17(13-24)21-23-18-8-4-5-9-19(18)26-21/h4-5,8-9,15-17H,6-7,10-14H2,1-3H3,(H,22,25)/p+1/t16-,17-/m0/s1