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

Systemtic Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate Openeye Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-acetyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate CAS Name: N-acetyl-N-[(1-propyl-3-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-3-yl)methyl]carbamate Traditional Name: N-acetyl-N-[(1-propylpyridin-1-ium-3-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=C[N+](=CC=C2)CCC)C(=O)C)C(C)(C)C

Isomeric SMILES

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

InChI

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