3-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C21H28N5O+ MolecularWeight: 366.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CCC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H]([NH+](C1)CCC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H27N5O/c27-20(25-14-16-26(17-15-25)21-22-10-5-11-23-21)9-13-24-12-4-8-19(24)18-6-2-1-3-7-18/h1-3,5-7,10-11,19H,4,8-9,12-17H2/p+1/t19-/m0/s1