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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O3/c1-3-16(21)14-6-7-17-15(12-14)20(18(22)13(2)23-17)11-10-19-8-4-5-9-19/h6-7,12-13H,3-5,8-11H2,1-2H3/p+1/t13-/m1/s1