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

Systemtic Name: pentadecyl 3-pentadecoxy-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoate Openeye Name: pentadecyl 3-pentadecoxy-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoate CAS Name: 3-pentadecoxy-2-[(2,4,6-trimethyl-1-pyridin-1-iumyl)methyl]-3-butenoic acid pentadecyl ester IUPAC Name: pentadecyl 3-pentadecoxy-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoate Traditional Name: 3-pentadecoxy-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoic acid pentadecyl ester Formula: C43H78NO3+ MolecularWeight: 657.08432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC(=C)C(C[N+]1=C(C=C(C=C1C)C)C)C(=O)OCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCOC(=C)C(C[N+]1=C(C=C(C=C1C)C)C)C(=O)OCCCCCCCCCCCCCCC

InChI

InChI=1S/C43H78NO3/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-46-41(6)42(37-44-39(4)35-38(3)36-40(44)5)43(45)47-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h35-36,42H,6-34,37H2,1-5H3/q+1