1-[2-(dihexadecylamino)ethyl]-5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-1-ium-4-carbaldehyde

Systemtic Name: 1-[2-(dihexadecylamino)ethyl]-5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-1-ium-4-carbaldehyde Openeye Name: 1-[2-(dihexadecylamino)ethyl]-3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridin-1-ium-4-carbaldehyde CAS Name: 1-[2-(dihexadecylamino)ethyl]-3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridin-1-iumcarboxaldehyde IUPAC Name: 1-[2-(dihexadecylamino)ethyl]-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium-4-carbaldehyde Traditional Name: 1-[2-(dicetylamino)ethyl]-3-hydroxy-2-methyl-5-methylol-pyridin-1-ium-4-carbaldehyde Formula: C42H79N2O3+ MolecularWeight: 660.08826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CC[N+]1=C(C(=C(C(=C1)CO)C=O)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CC[N+]1=C(C(=C(C(=C1)CO)C=O)O)C

InChI

InChI=1S/C42H78N2O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-43(34-35-44-36-40(37-45)41(38-46)42(47)39(44)3)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36,38,45H,4-35,37H2,1-3H3/p+1