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

Systemtic Name: 3-chloranyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: 3-chloro-N-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: 3-chloro-N-[2-(3-isoxazolylamino)-2-oxoethyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-chloro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: 3-chloro-N-[2-(isoxazol-3-ylamino)-2-keto-ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C18H22ClN4O3+ MolecularWeight: 377.84528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN(CC(=O)NC2=NOC=C2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CC[NH+](C1)CCN(CC(=O)NC2=NOC=C2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H21ClN4O3/c19-15-5-3-4-14(12-15)18(25)23(10-9-22-7-1-2-8-22)13-17(24)20-16-6-11-26-21-16/h3-6,11-12H,1-2,7-10,13H2,(H,20,21,24)/p+1