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

Systemtic Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-ethyl-propanamide Openeye Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-ethyl-propanamide CAS Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-ethylpropanamide IUPAC Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-ethylpropanamide Traditional Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-ethyl-propionamide Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3OS/c1-3-18-16(21)12(2)20-10-8-13(9-11-20)17-19-14-6-4-5-7-15(14)22-17/h4-7,12-13H,3,8-11H2,1-2H3,(H,18,21)/p+1/t12-/m0/s1