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

Systemtic Name: (3-chloranyl-4-tetradecoxy-phenyl)methyl N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-(2-methoxyphenyl)carbonyl-carbamate Openeye Name: (3-chloro-4-tetradecoxy-phenyl)methyl N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-(2-methoxybenzoyl)carbamate CAS Name: N-[(1-ethyl-3-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-3-yl)methyl]-N-(2-methoxybenzoyl)carbamate Traditional Name: N-[(1-ethylpyridin-1-ium-3-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=C[N+](=CC=C2)CC)C(=O)C3=CC=CC=C3OC)Cl

Isomeric SMILES

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

InChI

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