(3-tert-butyl-4-tetradecoxy-phenyl)methyl N-(2-methoxyphenyl)carbonyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate

Systemtic Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-(2-methoxyphenyl)carbonyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate Openeye Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-(2-methoxybenzoyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate CAS Name: N-[(2-methoxyphenyl)-oxomethyl]-N-[(1-propyl-3-pyridin-1-iumyl)methyl]carbamic acid (3-tert-butyl-4-tetradecoxyphenyl)methyl ester IUPAC Name: (3-tert-butyl-4-tetradecoxyphenyl)methyl N-(2-methoxybenzoyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate Traditional Name: N-o-anisoyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamic acid (3-tert-butyl-4-myristyloxy-benzyl) ester Formula: C43H63N2O5+ MolecularWeight: 687.97072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)COC(=O)N(CC2=C[N+](=CC=C2)CCC)C(=O)C3=CC=CC=C3OC)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)COC(=O)N(CC2=C[N+](=CC=C2)CCC)C(=O)C3=CC=CC=C3OC)C(C)(C)C

InChI

InChI=1S/C43H63N2O5/c1-7-9-10-11-12-13-14-15-16-17-18-21-30-49-40-27-26-35(31-38(40)43(3,4)5)34-50-42(47)45(33-36-23-22-29-44(32-36)28-8-2)41(46)37-24-19-20-25-39(37)48-6/h19-20,22-27,29,31-32H,7-18,21,28,30,33-34H2,1-6H3/q+1