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

Systemtic Name: [(E)-octadec-9-enyl]-oxidanylidene-[1-oxidanyl-1-oxidanylidene-3-[1-(phenylmethyl)indol-2-yl]propan-2-yl]azanium Openeye Name: [1-[(1-benzylindol-2-yl)methyl]-2-hydroxy-2-oxo-ethyl]-[(E)-octadec-9-enyl]-oxo-ammonium CAS Name: [1-hydroxy-1-oxo-3-[1-(phenylmethyl)-2-indolyl]propan-2-yl]-[(E)-octadec-9-enyl]-oxoammonium IUPAC Name: [3-(1-benzylindol-2-yl)-1-hydroxy-1-oxopropan-2-yl]-[(E)-octadec-9-enyl]-oxoazanium Traditional Name: [1-[(1-benzylindol-2-yl)methyl]-2-hydroxy-2-keto-ethyl]-keto-[(E)-octadec-9-enyl]ammonium Formula: C36H51N2O3+ MolecularWeight: 559.80174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC[N+](=O)C(CC1=CC2=CC=CC=C2N1CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC[N+](=O)C(CC1=CC2=CC=CC=C2N1CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C36H50N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-27-38(41)35(36(39)40)29-33-28-32-25-20-21-26-34(32)37(33)30-31-23-18-17-19-24-31/h9-10,17-21,23-26,28,35H,2-8,11-16,22,27,29-30H2,1H3/p+1/b10-9+