N-[(E,2S,3S)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-2-pyridin-1-ium-1-yl-ethanamide

Systemtic Name: N-[(E,2S,3S)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-2-pyridin-1-ium-1-yl-ethanamide Openeye Name: N-[(E,1S,2S)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]-2-pyridin-1-ium-1-yl-acetamide CAS Name: N-[(E,2S,3S)-1,3-dihydroxyoctadec-4-en-2-yl]-2-(1-pyridin-1-iumyl)acetamide IUPAC Name: N-[(E,2S,3S)-1,3-dihydroxyoctadec-4-en-2-yl]-2-pyridin-1-ium-1-ylacetamide Traditional Name: N-[(E,1S,2S)-2-hydroxy-1-methylol-heptadec-3-enyl]-2-pyridin-1-ium-1-yl-acetamide Formula: C25H43N2O3+ MolecularWeight: 419.62052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)C[N+]1=CC=CC=C1)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@@H]([C@H](CO)NC(=O)C[N+]1=CC=CC=C1)O

InChI

InChI=1S/C25H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-24(29)23(22-28)26-25(30)21-27-19-16-14-17-20-27/h14-20,23-24,28-29H,2-13,21-22H2,1H3/p+1/b18-15+/t23-,24-/m0/s1