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

Systemtic Name: N'-(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'-isoxazol-3-yl-oxamide CAS Name: N'-(3-isoxazolyl)-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-isoxazol-3-yl-oxamide Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CNC(=O)C(=O)NC2=NOC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1CNC(=O)C(=O)NC2=NOC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O3/c23-17(18(24)20-16-8-11-25-21-16)19-12-14-6-9-22(10-7-14)13-15-4-2-1-3-5-15/h1-5,8,11,14H,6-7,9-10,12-13H2,(H,19,23)(H,20,21,24)/p+1