(1,1-dimethylpiperidin-1-ium-4-yl) 2-(1,2-benzoxazol-3-yl)-2-piperidin-1-yl-ethanoate iodide

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(1,2-benzoxazol-3-yl)-2-piperidin-1-yl-ethanoate iodide Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(1,2-benzoxazol-3-yl)-2-(1-piperidyl)acetate iodide CAS Name: 2-(1,2-benzoxazol-3-yl)-2-(1-piperidinyl)acetic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester iodide IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(1,2-benzoxazol-3-yl)-2-piperidin-1-ylacetate iodide Traditional Name: 2-indoxazen-3-yl-2-piperidino-acetic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester iodide Formula: C21H30IN3O3 MolecularWeight: 499.38567

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)OC(=O)C(C2=NOC3=CC=CC=C32)N4CCCCC4)C.[I-]

Isomeric SMILES

C[N+]1(CCC(CC1)OC(=O)C(C2=NOC3=CC=CC=C32)N4CCCCC4)C.[I-]

InChI

InChI=1S/C21H30N3O3.HI/c1-24(2)14-10-16(11-15-24)26-21(25)20(23-12-6-3-7-13-23)19-17-8-4-5-9-18(17)27-22-19;/h4-5,8-9,16,20H,3,6-7,10-15H2,1-2H3;1H/q+1;/p-1