4-ethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide

Systemtic Name: 4-ethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide Openeye Name: 4-ethyl-N-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide CAS Name: 4-ethyl-N-[2-(3-isoxazolylamino)-2-oxoethyl]-N-[2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-ethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide Traditional Name: 4-ethyl-N-[2-(isoxazol-3-ylamino)-2-keto-ethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide Formula: C21H29N4O3+ MolecularWeight: 385.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N(CC[NH+]2CCCCC2)CC(=O)NC3=NOC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N(CC[NH+]2CCCCC2)CC(=O)NC3=NOC=C3

InChI

InChI=1S/C21H28N4O3/c1-2-17-6-8-18(9-7-17)21(27)25(14-13-24-11-4-3-5-12-24)16-20(26)22-19-10-15-28-23-19/h6-10,15H,2-5,11-14,16H2,1H3,(H,22,23,26)/p+1