[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-[(E)-octadec-9-enyl]-oxidanylidene-azanium

Systemtic Name: [3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-[(E)-octadec-9-enyl]-oxidanylidene-azanium Openeye Name: [2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-[(E)-octadec-9-enyl]-oxo-ammonium CAS Name: [1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-[(E)-octadec-9-enyl]-oxoammonium IUPAC Name: [1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-[(E)-octadec-9-enyl]-oxoazanium Traditional Name: [2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-keto-[(E)-octadec-9-enyl]ammonium Formula: C29H45N2O3+ MolecularWeight: 469.6792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N2O3/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/h9-10,17-18,20-21,24,28,30H,2-8,11-16,19,22-23H2,1H3/p+1/b10-9+