piperidin-2-ylmethyl 1,1-dimethylindazol-1-ium-3-carboxylate

Systemtic Name: piperidin-2-ylmethyl 1,1-dimethylindazol-1-ium-3-carboxylate Openeye Name: 2-piperidylmethyl 1,1-dimethylindazol-1-ium-3-carboxylate CAS Name: 1,1-dimethyl-3-indazol-1-iumcarboxylic acid 2-piperidinylmethyl ester IUPAC Name: piperidin-2-ylmethyl 1,1-dimethylindazol-1-ium-3-carboxylate Traditional Name: 1,1-dimethylindazol-1-ium-3-carboxylic acid 2-piperidylmethyl ester Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=CC=CC=C2C(=N1)C(=O)OCC3CCCCN3)C

Isomeric SMILES

C[N+]1(C2=CC=CC=C2C(=N1)C(=O)OCC3CCCCN3)C

InChI

InChI=1S/C16H22N3O2/c1-19(2)14-9-4-3-8-13(14)15(18-19)16(20)21-11-12-7-5-6-10-17-12/h3-4,8-9,12,17H,5-7,10-11H2,1-2H3/q+1