4-(2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: 4-(2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]butanamide IUPAC Name: 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-(2-keto-1,3-benzoxazol-3-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]butyramide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C23H27N3O3/c27-22(8-5-15-26-20-6-1-2-7-21(20)29-23(26)28)24-16-18-9-11-19(12-10-18)17-25-13-3-4-14-25/h1-2,6-7,9-12H,3-5,8,13-17H2,(H,24,27)/p+1