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

Systemtic Name: 6-propanoyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Openeye Name: 6-propanoyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one CAS Name: 6-(1-oxopropyl)-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-propanoyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Traditional Name: 6-propionyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Formula: C17H23N2O3+ MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c1-2-15(20)13-5-6-16-14(11-13)19(17(21)12-22-16)10-9-18-7-3-4-8-18/h5-6,11H,2-4,7-10,12H2,1H3/p+1