4-(3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)CCCN2C(=O)COC3=CC=CC=C32

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)CCCN2C(=O)COC3=CC=CC=C32

InChI

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