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

Systemtic Name: (3-methoxy-4-tetradecoxy-phenyl)methyl N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]carbamate Openeye Name: (3-methoxy-4-tetradecoxy-phenyl)methyl N-benzoyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]carbamate CAS Name: N-benzoyl-N-[(1-propyl-4-pyridin-1-iumyl)methyl]carbamic acid (3-methoxy-4-tetradecoxyphenyl)methyl ester IUPAC Name: (3-methoxy-4-tetradecoxyphenyl)methyl N-benzoyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]carbamate Traditional Name: N-benzoyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]carbamic acid (3-methoxy-4-myristyloxy-benzyl) ester Formula: C39H55N2O5+ MolecularWeight: 631.8644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H55N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-19-29-45-36-23-22-34(30-37(36)44-3)32-46-39(43)41(38(42)35-20-17-16-18-21-35)31-33-24-27-40(26-5-2)28-25-33/h16-18,20-25,27-28,30H,4-15,19,26,29,31-32H2,1-3H3/q+1