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

Systemtic Name: N-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-4-pentyl-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: N-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]-4-pentyl-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: N-[2-(3-isoxazolylamino)-2-oxoethyl]-4-pentyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-pentyl-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: 4-amyl-N-[2-(isoxazol-3-ylamino)-2-keto-ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C23H33N4O3+ MolecularWeight: 413.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CC[NH+]2CCCC2)CC(=O)NC3=NOC=C3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CC[NH+]2CCCC2)CC(=O)NC3=NOC=C3

InChI

InChI=1S/C23H32N4O3/c1-2-3-4-7-19-8-10-20(11-9-19)23(29)27(16-15-26-13-5-6-14-26)18-22(28)24-21-12-17-30-25-21/h8-12,17H,2-7,13-16,18H2,1H3,(H,24,25,28)/p+1