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

Systemtic Name: [(2S)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-3-(1H-indol-3-yl)propan-2-yl]azanium Openeye Name: [(1S)-1-[[4-(2-furylmethyl)piperazin-4-ium-1-yl]methyl]-2-(1H-indol-3-yl)ethyl]ammonium CAS Name: [(2S)-1-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-3-(1H-indol-3-yl)propan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-3-(1H-indol-3-yl)propan-2-yl]azanium Traditional Name: [(1S)-1-[[4-(2-furfuryl)piperazin-4-ium-1-yl]methyl]-2-(1H-indol-3-yl)ethyl]ammonium Formula: C20H28N4O+2 MolecularWeight: 340.46252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)CC(CC3=CNC4=CC=CC=C43)[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C[C@H](CC3=CNC4=CC=CC=C43)[NH3+]

InChI

InChI=1S/C20H26N4O/c21-17(12-16-13-22-20-6-2-1-5-19(16)20)14-23-7-9-24(10-8-23)15-18-4-3-11-25-18/h1-6,11,13,17,22H,7-10,12,14-15,21H2/p+2/t17-/m0/s1