2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C23H32N5O2+ MolecularWeight: 410.53248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H31N5O2/c1-30-20-9-7-19(8-10-20)21-6-3-2-4-13-28(21)18-22(29)26-14-16-27(17-15-26)23-24-11-5-12-25-23/h5,7-12,21H,2-4,6,13-18H2,1H3/p+1/t21-/m1/s1