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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CC[NH+]3CCCCC3

Isomeric SMILES

C[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CC[NH+]3CCCCC3

InChI

InChI=1S/C18H23ClN2O3/c1-13-18(23)21(10-9-20-7-3-2-4-8-20)15-11-14(16(22)12-19)5-6-17(15)24-13/h5-6,11,13H,2-4,7-10,12H2,1H3/p+1/t13-/m1/s1