heptadecyl 3-heptadecoxy-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoate

Systemtic Name: heptadecyl 3-heptadecoxy-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoate Openeye Name: heptadecyl 3-heptadecoxy-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoate CAS Name: 3-heptadecoxy-2-[(2,4,6-trimethyl-1-pyridin-1-iumyl)methyl]-3-butenoic acid heptadecyl ester IUPAC Name: heptadecyl 3-heptadecoxy-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoate Traditional Name: 3-heptadecoxy-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoic acid heptadecyl ester Formula: C47H86NO3+ MolecularWeight: 713.19064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC(=C)C(C[N+]1=C(C=C(C=C1C)C)C)C(=O)OCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC(=C)C(C[N+]1=C(C=C(C=C1C)C)C)C(=O)OCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C47H86NO3/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-50-45(6)46(41-48-43(4)39-42(3)40-44(48)5)47(49)51-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h39-40,46H,6-38,41H2,1-5H3/q+1