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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CCN2C3=CC=CC=C3OC2=O)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CCN2C3=CC=CC=C3OC2=O)[NH+]4CCCCC4

InChI

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