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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C19H24N4O3/c1-14-11-17(22-26-14)21-19(25)18(24)20-12-15-5-7-16(8-6-15)13-23-9-3-2-4-10-23/h5-8,11H,2-4,9-10,12-13H2,1H3,(H,20,24)(H,21,22,25)/p+1