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

Systemtic Name: [(2S)-1-(1H-indol-3-yl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]azanium Openeye Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2S)-1-(1H-indol-3-yl)-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-(1H-indol-3-yl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]azanium Traditional Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C20H27N5+2 MolecularWeight: 337.46188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CC2=CNC3=CC=CC=C32)[NH3+])C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1C[C@H](CC2=CNC3=CC=CC=C32)[NH3+])C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H25N5/c21-17(13-16-14-23-19-6-2-1-5-18(16)19)15-24-9-11-25(12-10-24)20-7-3-4-8-22-20/h1-8,14,17,23H,9-13,15,21H2/p+2/t17-/m0/s1