1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanone Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCCN2C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H29N5O3/c1-29-17-6-7-20(30-2)18(15-17)19-5-3-10-27(19)21(28)16-25-11-13-26(14-12-25)22-23-8-4-9-24-22/h4,6-9,15,19H,3,5,10-14,16H2,1-2H3/p+1/t19-/m1/s1