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

Systemtic Name: (3-chloranyl-4-tetradecoxy-phenyl)methyl N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-(phenylcarbonyl)carbamate Openeye Name: (3-chloro-4-tetradecoxy-phenyl)methyl N-benzoyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]carbamate CAS Name: N-benzoyl-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]carbamic acid (3-chloro-4-tetradecoxyphenyl)methyl ester IUPAC Name: (3-chloro-4-tetradecoxyphenyl)methyl N-benzoyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]carbamate Traditional Name: N-benzoyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]carbamic acid (3-chloro-4-myristyloxy-benzyl) ester Formula: C37H50ClN2O4+ MolecularWeight: 622.2569

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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=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C37H50ClN2O4/c1-3-5-6-7-8-9-10-11-12-13-14-18-26-43-35-24-23-31(27-34(35)38)30-44-37(42)40(36(41)33-21-16-15-17-22-33)29-32-20-19-25-39(4-2)28-32/h15-17,19-25,27-28H,3-14,18,26,29-30H2,1-2H3/q+1