2-(3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide

Systemtic Name: 2-(3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-(3-oxo-1,4-benzoxazin-4-yl)-N-[3-(1-pyrrolidin-1-iumyl)propyl]acetamide IUPAC Name: 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-(3-keto-1,4-benzoxazin-4-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)CN2C(=O)COC3=CC=CC=C32

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)CN2C(=O)COC3=CC=CC=C32

InChI

InChI=1S/C17H23N3O3/c21-16(18-8-5-11-19-9-3-4-10-19)12-20-14-6-1-2-7-15(14)23-13-17(20)22/h1-2,6-7H,3-5,8-13H2,(H,18,21)/p+1