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

Systemtic Name: (3-chloranyl-4-tetradecoxy-phenyl)methyl N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate Openeye Name: (3-chloro-4-tetradecoxy-phenyl)methyl N-benzoyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate CAS Name: N-benzoyl-N-[(1-propyl-3-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-3-yl)methyl]carbamate Traditional Name: N-benzoyl-N-[(1-propylpyridin-1-ium-3-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=C[N+](=CC=C2)CCC)C(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

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

InChI

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