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

Systemtic Name: (2R)-6-ethanoyl-2-methyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Openeye Name: (2R)-6-acetyl-2-methyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one CAS Name: (2R)-6-acetyl-2-methyl-4-[2-(1-piperidin-1-iumyl)ethyl]-1,4-benzoxazin-3-one IUPAC Name: (2R)-6-acetyl-2-methyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Traditional Name: (2R)-6-acetyl-2-methyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O3/c1-13(21)15-6-7-17-16(12-15)20(18(22)14(2)23-17)11-10-19-8-4-3-5-9-19/h6-7,12,14H,3-5,8-11H2,1-2H3/p+1/t14-/m1/s1