(3-chloranyl-4-tetradecoxy-phenyl)methyl N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamate

Systemtic Name: (3-chloranyl-4-tetradecoxy-phenyl)methyl N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamate Openeye Name: (3-chloro-4-tetradecoxy-phenyl)methyl N-benzoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamate CAS Name: N-benzoyl-N-[(1-propyl-2-pyridin-1-iumyl)methyl]carbamic acid (3-chloro-4-tetradecoxyphenyl)methyl ester IUPAC Name: (3-chloro-4-tetradecoxyphenyl)methyl N-benzoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamate Traditional Name: N-benzoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamic acid (3-chloro-4-myristyloxy-benzyl) ester Formula: C38H52ClN2O4+ MolecularWeight: 636.28348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)COC(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)COC(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C38H52ClN2O4/c1-3-5-6-7-8-9-10-11-12-13-14-20-28-44-36-25-24-32(29-35(36)39)31-45-38(43)41(37(42)33-21-16-15-17-22-33)30-34-23-18-19-27-40(34)26-4-2/h15-19,21-25,27,29H,3-14,20,26,28,30-31H2,1-2H3/q+1