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

Systemtic Name: 6-(2-chloranylethanoyl)-2,2-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Openeye Name: 6-(2-chloroacetyl)-2,2-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one CAS Name: 6-(2-chloro-1-oxoethyl)-2,2-dimethyl-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-(2-chloroacetyl)-2,2-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Traditional Name: 6-(2-chloroacetyl)-2,2-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Formula: C18H24ClN2O3+ MolecularWeight: 351.84776

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CC[NH+]3CCCC3)C

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CC[NH+]3CCCC3)C

InChI

InChI=1S/C18H23ClN2O3/c1-18(2)17(23)21(10-9-20-7-3-4-8-20)14-11-13(15(22)12-19)5-6-16(14)24-18/h5-6,11H,3-4,7-10,12H2,1-2H3/p+1