3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C22H25ClN3O3+ MolecularWeight: 414.9052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

InChI

InChI=1S/C22H24ClN3O3/c23-18-7-8-19-20(13-18)29-22(28)26(19)12-9-21(27)24-14-16-5-1-2-6-17(16)15-25-10-3-4-11-25/h1-2,5-8,13H,3-4,9-12,14-15H2,(H,24,27)/p+1