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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(CC[NH3+])C3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)[C@@H](CC[NH3+])C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H28N4/c23-11-10-22(20-16-24-21-9-5-4-8-19(20)21)26-14-12-25(13-15-26)17-18-6-2-1-3-7-18/h1-9,16,22,24H,10-15,17,23H2/p+2/t22-/m0/s1