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

Systemtic Name: [(E)-hexadec-9-enyl]-[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-oxidanylidene-azanium Openeye Name: [(E)-hexadec-9-enyl]-[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-oxo-ammonium CAS Name: [(E)-hexadec-9-enyl]-[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-oxoammonium IUPAC Name: [(E)-hexadec-9-enyl]-[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-oxoazanium Traditional Name: [(E)-hexadec-9-enyl]-[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-keto-ammonium Formula: C27H41N2O3+ MolecularWeight: 441.62604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-29(32)26(27(30)31)21-23-22-28-25-19-16-15-18-24(23)25/h7-8,15-16,18-19,22,26,28H,2-6,9-14,17,20-21H2,1H3/p+1/b8-7+