4-(2-oxidanylidene-1,3-benzoxazol-3-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)butanamide

Systemtic Name: 4-(2-oxidanylidene-1,3-benzoxazol-3-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)butanamide Openeye Name: 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)butanamide CAS Name: 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(1-pyrrolidin-1-iumyl)propyl]butanamide IUPAC Name: 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)butanamide Traditional Name: 4-(2-keto-1,3-benzoxazol-3-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)butyramide Formula: C18H26N3O3+ MolecularWeight: 332.41734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)CCCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)CCCN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C18H25N3O3/c22-17(19-10-6-13-20-11-3-4-12-20)9-5-14-21-15-7-1-2-8-16(15)24-18(21)23/h1-2,7-8H,3-6,9-14H2,(H,19,22)/p+1