6-butanoyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one

Systemtic Name: 6-butanoyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Openeye Name: 6-butanoyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one CAS Name: 6-(1-oxobutyl)-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-butanoyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Traditional Name: 6-butyryl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC[NH+]3CCCC3

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC[NH+]3CCCC3

InChI

InChI=1S/C18H24N2O3/c1-2-5-16(21)14-6-7-17-15(12-14)20(18(22)13-23-17)11-10-19-8-3-4-9-19/h6-7,12H,2-5,8-11,13H2,1H3/p+1