[(2S)-1-(1H-indol-3-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]azanium

Systemtic Name: [(2S)-1-(1H-indol-3-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]azanium Openeye Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2S)-1-(1H-indol-3-yl)-3-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-(1H-indol-3-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]azanium Traditional Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-[4-(2-pyrimidyl)piperazino]ethyl]ammonium Formula: C19H25N6+ MolecularWeight: 337.442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CC2=CNC3=CC=CC=C32)[NH3+])C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C[C@H](CC2=CNC3=CC=CC=C32)[NH3+])C4=NC=CC=N4

InChI

InChI=1S/C19H24N6/c20-16(12-15-13-23-18-5-2-1-4-17(15)18)14-24-8-10-25(11-9-24)19-21-6-3-7-22-19/h1-7,13,16,23H,8-12,14,20H2/p+1/t16-/m0/s1