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

Systemtic Name: 4-butoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: 4-butoxy-N-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: 4-butoxy-N-[2-(3-isoxazolylamino)-2-oxoethyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-butoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: 4-butoxy-N-[2-(isoxazol-3-ylamino)-2-keto-ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C22H31N4O4+ MolecularWeight: 415.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(CC[NH+]2CCCC2)CC(=O)NC3=NOC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(CC[NH+]2CCCC2)CC(=O)NC3=NOC=C3

InChI

InChI=1S/C22H30N4O4/c1-2-3-15-29-19-8-6-18(7-9-19)22(28)26(14-13-25-11-4-5-12-25)17-21(27)23-20-10-16-30-24-20/h6-10,16H,2-5,11-15,17H2,1H3,(H,23,24,27)/p+1