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

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

Isomeric SMILES

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

InChI

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