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

Systemtic Name: 2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(2S)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C22H30N5O3+ MolecularWeight: 412.5053

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3/c1-29-17-6-7-18(20(15-17)30-2)19-5-3-10-27(19)16-21(28)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-/m0/s1