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

Systemtic Name: (3-chloranyl-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]carbamate iodide Openeye Name: (3-chloro-4-tetradecoxy-phenyl)methyl N-acetyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]carbamate iodide CAS Name: N-acetyl-N-[(1-methyl-3-pyridin-1-iumyl)methyl]carbamic acid (3-chloro-4-tetradecoxyphenyl)methyl ester iodide IUPAC Name: (3-chloro-4-tetradecoxyphenyl)methyl N-acetyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]carbamate iodide Traditional Name: N-acetyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]carbamic acid (3-chloro-4-myristyloxy-benzyl) ester iodide Formula: C31H46ClIN2O4 MolecularWeight: 673.06541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H46ClN2O4.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-21-37-30-19-18-27(22-29(30)32)25-38-31(36)34(26(2)35)24-28-17-16-20-33(3)23-28;/h16-20,22-23H,4-15,21,24-25H2,1-3H3;1H/q+1;/p-1