(2R)-7-azanyl-2-methyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one

Systemtic Name: (2R)-7-azanyl-2-methyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Openeye Name: (2R)-7-amino-2-methyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one CAS Name: (2R)-7-amino-2-methyl-4-[2-(1-piperidin-1-iumyl)ethyl]-1,4-benzoxazin-3-one IUPAC Name: (2R)-7-amino-2-methyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Traditional Name: (2R)-7-amino-2-methyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2/c1-12-16(20)19(10-9-18-7-3-2-4-8-18)14-6-5-13(17)11-15(14)21-12/h5-6,11-12H,2-4,7-10,17H2,1H3/p+1/t12-/m1/s1