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

Systemtic Name: (3-chloranyl-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate Openeye Name: (3-chloro-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-chloro-4-tetradecoxyphenyl)methyl ester IUPAC Name: (3-chloro-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-chloro-4-myristyloxy-benzyl) ester Formula: C33H50ClN2O4+ MolecularWeight: 574.2141

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C33H50ClN2O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-23-39-32-20-19-29(24-31(32)34)27-40-33(38)36(28(3)37)26-30-18-17-22-35(25-30)21-5-2/h17-20,22,24-25H,4-16,21,23,26-27H2,1-3H3/q+1