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

Systemtic Name: (2R)-6-(2-chloranylethanoyl)-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Openeye Name: (2R)-6-(2-chloroacetyl)-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one CAS Name: (2R)-6-(2-chloro-1-oxoethyl)-2-methyl-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-benzoxazin-3-one IUPAC Name: (2R)-6-(2-chloroacetyl)-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Traditional Name: (2R)-6-(2-chloroacetyl)-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Formula: C17H22ClN2O3+ MolecularWeight: 337.82118

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CC[NH+]3CCCC3

Isomeric SMILES

C[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CC[NH+]3CCCC3

InChI

InChI=1S/C17H21ClN2O3/c1-12-17(22)20(9-8-19-6-2-3-7-19)14-10-13(15(21)11-18)4-5-16(14)23-12/h4-5,10,12H,2-3,6-9,11H2,1H3/p+1/t12-/m1/s1