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

Systemtic Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-(2-methoxyphenyl)carbonyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]carbamate Openeye Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-(2-methoxybenzoyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]carbamate CAS Name: N-[(2-methoxyphenyl)-oxomethyl]-N-[(1-methyl-4-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-methylpyridin-1-ium-4-yl)methyl]carbamate Traditional Name: N-[(1-methylpyridin-1-ium-4-yl)methyl]-N-o-anisoyl-carbamic acid (3-tert-butyl-4-myristyloxy-benzyl) ester Formula: C41H59N2O5+ MolecularWeight: 659.91756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H59N2O5/c1-7-8-9-10-11-12-13-14-15-16-17-20-29-47-38-24-23-34(30-36(38)41(2,3)4)32-48-40(45)43(31-33-25-27-42(5)28-26-33)39(44)35-21-18-19-22-37(35)46-6/h18-19,21-28,30H,7-17,20,29,31-32H2,1-6H3/q+1