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

Systemtic Name: 2-(1,2-benzoxazol-3-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]ethanamide Openeye Name: 2-(1,2-benzoxazol-3-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]acetamide CAS Name: 2-(1,2-benzoxazol-3-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(1,2-benzoxazol-3-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]acetamide Traditional Name: 2-indoxazen-3-yl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]acetamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CC2=NOC3=CC=CC=C32)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CC2=NOC3=CC=CC=C32)[NH+]4CCCCC4

InChI

InChI=1S/C23H27N3O3/c1-28-18-11-9-17(10-12-18)21(26-13-5-2-6-14-26)16-24-23(27)15-20-19-7-3-4-8-22(19)29-25-20/h3-4,7-12,21H,2,5-6,13-16H2,1H3,(H,24,27)/p+1/t21-/m0/s1