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

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(1,2-benzoxazol-3-yl)-2-piperidin-1-yl-ethanoate Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(1,2-benzoxazol-3-yl)-2-(1-piperidyl)acetate CAS Name: 2-(1,2-benzoxazol-3-yl)-2-(1-piperidinyl)acetic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(1,2-benzoxazol-3-yl)-2-piperidin-1-ylacetate Traditional Name: 2-indoxazen-3-yl-2-piperidino-acetic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester Formula: C21H30N3O3+ MolecularWeight: 372.4812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N3O3/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/q+1