(3-tert-butyl-4-tetradecoxy-phenyl)methyl N-[(1-methylpyridin-1-ium-3-yl)methyl]-N-(phenylcarbonyl)carbamate

Systemtic Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-[(1-methylpyridin-1-ium-3-yl)methyl]-N-(phenylcarbonyl)carbamate Openeye Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-benzoyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]carbamate CAS Name: N-benzoyl-N-[(1-methyl-3-pyridin-1-iumyl)methyl]carbamic acid (3-tert-butyl-4-tetradecoxyphenyl)methyl ester IUPAC Name: (3-tert-butyl-4-tetradecoxyphenyl)methyl N-benzoyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]carbamate Traditional Name: N-benzoyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]carbamic acid (3-tert-butyl-4-myristyloxy-benzyl) ester Formula: C40H57N2O4+ MolecularWeight: 629.89158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)COC(=O)N(CC2=C[N+](=CC=C2)C)C(=O)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)COC(=O)N(CC2=C[N+](=CC=C2)C)C(=O)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C40H57N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-20-28-45-37-26-25-33(29-36(37)40(2,3)4)32-46-39(44)42(31-34-22-21-27-41(5)30-34)38(43)35-23-18-17-19-24-35/h17-19,21-27,29-30H,6-16,20,28,31-32H2,1-5H3/q+1