(3-tert-butyl-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]carbamate

Systemtic Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]carbamate Openeye Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-acetyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]carbamate CAS Name: N-acetyl-N-[(1-propyl-4-pyridin-1-iumyl)methyl]carbamic acid (3-tert-butyl-4-tetradecoxyphenyl)methyl ester IUPAC Name: (3-tert-butyl-4-tetradecoxyphenyl)methyl N-acetyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]carbamate Traditional Name: N-acetyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]carbamic acid (3-tert-butyl-4-myristyloxy-benzyl) ester Formula: C37H59N2O4+ MolecularWeight: 595.87536

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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)C)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C37H59N2O4/c1-7-9-10-11-12-13-14-15-16-17-18-19-27-42-35-21-20-33(28-34(35)37(4,5)6)30-43-36(41)39(31(3)40)29-32-22-25-38(24-8-2)26-23-32/h20-23,25-26,28H,7-19,24,27,29-30H2,1-6H3/q+1