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

Systemtic Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(1R)-1-cyclopropylethyl]ethanamide Openeye Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide CAS Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(1R)-1-cyclopropylethyl]acetamide IUPAC Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide Traditional Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC(=O)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C1CC1)NC(=O)C[NH+]2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H25N3OS/c1-13(14-8-9-14)20-18(23)12-22-10-4-5-15(11-22)19-21-16-6-2-3-7-17(16)24-19/h2-3,6-7,13-15H,4-5,8-12H2,1H3,(H,20,23)/p+1/t13-,15+/m1/s1