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

Systemtic Name: 2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(2R)-2-(4-methoxyphenyl)-1-pyrrolidin-1-iumyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCC[NH+]2CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2/c1-28-18-7-5-17(6-8-18)19-4-2-11-26(19)16-20(27)24-12-14-25(15-13-24)21-22-9-3-10-23-21/h3,5-10,19H,2,4,11-16H2,1H3/p+1/t19-/m1/s1