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

Systemtic Name: [(2S)-1-(1H-indol-3-yl)-3-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]propan-2-yl]azanium Openeye Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]ethyl]ammonium CAS Name: [(2S)-1-(1H-indol-3-yl)-3-[4-(3-phenylpropyl)-1-piperazin-4-iumyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-(1H-indol-3-yl)-3-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]propan-2-yl]azanium Traditional Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]ethyl]ammonium Formula: C24H34N4+2 MolecularWeight: 378.55356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CC=CC=C2)CC(CC3=CNC4=CC=CC=C43)[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CC=CC=C2)C[C@H](CC3=CNC4=CC=CC=C43)[NH3+]

InChI

InChI=1S/C24H32N4/c25-22(17-21-18-26-24-11-5-4-10-23(21)24)19-28-15-13-27(14-16-28)12-6-9-20-7-2-1-3-8-20/h1-5,7-8,10-11,18,22,26H,6,9,12-17,19,25H2/p+2/t22-/m0/s1