(3-chloranyl-4-tetradecoxy-phenyl)methyl N-[(1-ethylpyridin-1-ium-4-yl)methyl]-N-(2-methoxyphenyl)carbonyl-carbamate

Systemtic Name: (3-chloranyl-4-tetradecoxy-phenyl)methyl N-[(1-ethylpyridin-1-ium-4-yl)methyl]-N-(2-methoxyphenyl)carbonyl-carbamate Openeye Name: (3-chloro-4-tetradecoxy-phenyl)methyl N-[(1-ethylpyridin-1-ium-4-yl)methyl]-N-(2-methoxybenzoyl)carbamate CAS Name: N-[(1-ethyl-4-pyridin-1-iumyl)methyl]-N-[(2-methoxyphenyl)-oxomethyl]carbamic acid (3-chloro-4-tetradecoxyphenyl)methyl ester IUPAC Name: (3-chloro-4-tetradecoxyphenyl)methyl N-[(1-ethylpyridin-1-ium-4-yl)methyl]-N-(2-methoxybenzoyl)carbamate Traditional Name: N-[(1-ethylpyridin-1-ium-4-yl)methyl]-N-o-anisoyl-carbamic acid (3-chloro-4-myristyloxy-benzyl) ester Formula: C38H52ClN2O5+ MolecularWeight: 652.28288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H52ClN2O5/c1-4-6-7-8-9-10-11-12-13-14-15-18-27-45-36-22-21-32(28-34(36)39)30-46-38(43)41(29-31-23-25-40(5-2)26-24-31)37(42)33-19-16-17-20-35(33)44-3/h16-17,19-26,28H,4-15,18,27,29-30H2,1-3H3/q+1