(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(5-methylisoxazol-3-yl)propanamide CAS Name: (2S)-N-(5-methyl-3-isoxazolyl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: (2S)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(5-methylisoxazol-3-yl)propionamide Formula: C19H26N3O2+ MolecularWeight: 328.42864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C)[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O2/c1-14-12-18(21-24-14)20-19(23)15(2)22-10-8-17(9-11-22)13-16-6-4-3-5-7-16/h3-7,12,15,17H,8-11,13H2,1-2H3,(H,20,21,23)/p+1/t15-/m0/s1