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

Systemtic Name: [(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]azanium Openeye Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propan-2-yl]ammonium IUPAC Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]azanium Traditional Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C20H25N5O+2 MolecularWeight: 351.4454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C(CC3=CNC4=CC=CC=C43)[NH3+]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)[C@H](CC3=CNC4=CC=CC=C43)[NH3+]

InChI

InChI=1S/C20H23N5O/c21-17(13-15-14-23-18-6-2-1-5-16(15)18)20(26)25-11-9-24(10-12-25)19-7-3-4-8-22-19/h1-8,14,17,23H,9-13,21H2/p+2/t17-/m0/s1