propan-2-yl 2-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carboxylate

Systemtic Name: propan-2-yl 2-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carboxylate Openeye Name: isopropyl 2-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carboxylate CAS Name: 2-(4-phenyl-1-piperazinyl)-3-pyridin-1-iumcarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carboxylate Traditional Name: 2-(4-phenylpiperazino)pyridin-1-ium-3-carboxylic acid isopropyl ester Formula: C19H24N3O2+ MolecularWeight: 326.41276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)C1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2/c1-15(2)24-19(23)17-9-6-10-20-18(17)22-13-11-21(12-14-22)16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3/p+1