[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-[(9E,12E)-octadeca-9,12-dienyl]-oxidanylidene-azanium

Systemtic Name: [3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-[(9E,12E)-octadeca-9,12-dienyl]-oxidanylidene-azanium Openeye Name: [2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-[(9E,12E)-octadeca-9,12-dienyl]-oxo-ammonium CAS Name: [1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-[(9E,12E)-octadeca-9,12-dienyl]-oxoammonium IUPAC Name: [1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-[(9E,12E)-octadeca-9,12-dienyl]-oxoazanium Traditional Name: [2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-keto-[(9E,12E)-octadeca-9,12-dienyl]ammonium Formula: C29H43N2O3+ MolecularWeight: 467.66332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC[N+](=O)C(CC1=CNC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC[N+](=O)C(CC1=CNC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C29H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-31(34)28(29(32)33)23-25-24-30-27-21-18-17-20-26(25)27/h6-7,9-10,17-18,20-21,24,28,30H,2-5,8,11-16,19,22-23H2,1H3/p+1/b7-6+,10-9+