N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: 2-(3-keto-1,4-benzoxazin-4-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]acetamide Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CN2C(=O)COC3=CC=CC=C32)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CN2C(=O)COC3=CC=CC=C32)[NH+]4CCCCC4

InChI

InChI=1S/C24H29N3O4/c1-30-19-11-9-18(10-12-19)21(26-13-5-2-6-14-26)15-25-23(28)16-27-20-7-3-4-8-22(20)31-17-24(27)29/h3-4,7-12,21H,2,5-6,13-17H2,1H3,(H,25,28)/p+1/t21-/m0/s1