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

Systemtic Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(ethylcarbamoyl)propanamide Openeye Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(ethylcarbamoyl)propanamide CAS Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(ethylcarbamoyl)propanamide IUPAC Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(ethylcarbamoyl)propanamide Traditional Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(ethylcarbamoyl)propionamide Formula: C18H25N4O2S+ MolecularWeight: 361.4817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2S/c1-3-19-18(24)21-16(23)12(2)22-10-8-13(9-11-22)17-20-14-6-4-5-7-15(14)25-17/h4-7,12-13H,3,8-11H2,1-2H3,(H2,19,21,23,24)/p+1/t12-/m0/s1