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

Systemtic Name: N'-(5-methyl-1,2-oxazol-3-yl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(5-methylisoxazol-3-yl)oxamide CAS Name: N'-(5-methyl-3-isoxazolyl)-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(5-methylisoxazol-3-yl)oxamide Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O3/c1-14-11-17(22-26-14)21-19(25)18(24)20-12-15-7-9-23(10-8-15)13-16-5-3-2-4-6-16/h2-6,11,15H,7-10,12-13H2,1H3,(H,20,24)(H,21,22,25)/p+1