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

Systemtic Name: 3-(1,3-benzoxazol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]propanamide Openeye Name: 3-(1,3-benzoxazol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]propanamide CAS Name: 3-(1,3-benzoxazol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]propanamide IUPAC Name: 3-(1,3-benzoxazol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]propanamide Traditional Name: 3-(1,3-benzoxazol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]propionamide Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CCC2=NC3=CC=CC=C3O2)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CCC2=NC3=CC=CC=C3O2)[NH+]4CCCCC4

InChI

InChI=1S/C24H29N3O3/c1-29-19-11-9-18(10-12-19)21(27-15-5-2-6-16-27)17-25-23(28)13-14-24-26-20-7-3-4-8-22(20)30-24/h3-4,7-12,21H,2,5-6,13-17H2,1H3,(H,25,28)/p+1/t21-/m0/s1