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

Systemtic Name: 4-(2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]butanamide Openeye Name: 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]butanamide CAS Name: 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]butanamide IUPAC Name: 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]butanamide Traditional Name: 4-(2-keto-1,3-benzoxazol-3-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]butyramide Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c26-21(8-5-15-25-19-6-1-2-7-20(19)28-22(25)27)23-18-11-9-17(10-12-18)16-24-13-3-4-14-24/h1-2,6-7,9-12H,3-5,8,13-16H2,(H,23,26)/p+1