2-[4-[(E)-2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl]-N-[(2S,3R,4R)-1,3,4-tris(oxidanyl)octadecan-2-yl]ethanamide

Systemtic Name: 2-[4-[(E)-2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl]-N-[(2S,3R,4R)-1,3,4-tris(oxidanyl)octadecan-2-yl]ethanamide Openeye Name: N-[(1S,2R,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]-2-[4-[(E)-2-(4-dimethylaminophenyl)vinyl]pyridin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1-pyridin-1-iumyl]-N-[(2S,3R,4R)-1,3,4-trihydroxyoctadecan-2-yl]acetamide IUPAC Name: 2-[4-[(E)-2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl]-N-[(2S,3R,4R)-1,3,4-trihydroxyoctadecan-2-yl]acetamide Traditional Name: N-[(1S,2R,3R)-2,3-dihydroxy-1-methylol-heptadecyl]-2-[4-[(E)-2-(4-dimethylaminophenyl)vinyl]pyridin-1-ium-1-yl]acetamide Formula: C35H56N3O4+ MolecularWeight: 582.83684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C(CO)NC(=O)C[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)N(C)C)O)O

Isomeric SMILES

CCCCCCCCCCCCCC[C@H]([C@@H]([C@H](CO)NC(=O)C[N+]1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N(C)C)O)O

InChI

InChI=1S/C35H55N3O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-33(40)35(42)32(28-39)36-34(41)27-38-25-23-30(24-26-38)18-17-29-19-21-31(22-20-29)37(2)3/h17-26,32-33,35,39-40,42H,4-16,27-28H2,1-3H3/p+1/t32-,33+,35+/m0/s1