(2R)-1-(1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (2R)-1-(1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2R)-1-(1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one CAS Name: (2R)-1-(1H-indol-3-yl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-(1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2R)-1-(1H-indol-3-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propan-1-one Formula: C19H22N5O+ MolecularWeight: 336.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H21N5O/c1-14(18(25)16-13-22-17-6-3-2-5-15(16)17)23-9-11-24(12-10-23)19-20-7-4-8-21-19/h2-8,13-14,22H,9-12H2,1H3/p+1/t14-/m1/s1