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

Systemtic Name: (3-chloranyl-4-tetradecoxy-phenyl)methyl N-[(1-methylpyridin-1-ium-3-yl)methyl]-N-(phenylcarbonyl)carbamate Openeye Name: (3-chloro-4-tetradecoxy-phenyl)methyl N-benzoyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]carbamate CAS Name: N-benzoyl-N-[(1-methyl-3-pyridin-1-iumyl)methyl]carbamic acid (3-chloro-4-tetradecoxyphenyl)methyl ester IUPAC Name: (3-chloro-4-tetradecoxyphenyl)methyl N-benzoyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]carbamate Traditional Name: N-benzoyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]carbamic acid (3-chloro-4-myristyloxy-benzyl) ester Formula: C36H48ClN2O4+ MolecularWeight: 608.23032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H48ClN2O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-25-42-34-23-22-30(26-33(34)37)29-43-36(41)39(28-31-19-18-24-38(2)27-31)35(40)32-20-15-14-16-21-32/h14-16,18-24,26-27H,3-13,17,25,28-29H2,1-2H3/q+1