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

Systemtic Name: [(2S)-1-(1H-indol-3-yl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]azanium Openeye Name: [(1S)-1-[(4-benzylpiperazin-4-ium-1-yl)methyl]-2-(1H-indol-3-yl)ethyl]ammonium CAS Name: [(2S)-1-(1H-indol-3-yl)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(1H-indol-3-yl)propan-2-yl]azanium Traditional Name: [(1S)-1-[(4-benzylpiperazin-4-ium-1-yl)methyl]-2-(1H-indol-3-yl)ethyl]ammonium Formula: C22H30N4+2 MolecularWeight: 350.5004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC(CC3=CNC4=CC=CC=C43)[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C[C@H](CC3=CNC4=CC=CC=C43)[NH3+]

InChI

InChI=1S/C22H28N4/c23-20(14-19-15-24-22-9-5-4-8-21(19)22)17-26-12-10-25(11-13-26)16-18-6-2-1-3-7-18/h1-9,15,20,24H,10-14,16-17,23H2/p+2/t20-/m0/s1