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

Systemtic Name: (3-chloranyl-4-tetradecoxy-phenyl)methyl N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-(phenylcarbonyl)carbamate Openeye Name: (3-chloro-4-tetradecoxy-phenyl)methyl N-benzoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate CAS Name: N-benzoyl-N-[(1-methyl-2-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-2-yl)methyl]carbamate Traditional Name: N-benzoyl-N-[(1-methylpyridin-1-ium-2-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=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

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

InChI

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