N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-2-carboxamide

Systemtic Name: N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-2-carboxamide Openeye Name: N-[(3-chloro-4-tetradecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-2-carboxamide CAS Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-1-methyl-N-phenyl-2-pyridin-1-iumcarboxamide IUPAC Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-1-methyl-N-phenylpyridin-1-ium-2-carboxamide Traditional Name: N-(3-chloro-4-myristyloxy-benzyl)-1-methyl-N-phenyl-pyridin-1-ium-2-carboxamide Formula: C34H46ClN2O2+ MolecularWeight: 550.19424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3C)Cl

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3C)Cl

InChI

InChI=1S/C34H46ClN2O2/c1-3-4-5-6-7-8-9-10-11-12-13-19-26-39-33-24-23-29(27-31(33)35)28-37(30-20-15-14-16-21-30)34(38)32-22-17-18-25-36(32)2/h14-18,20-25,27H,3-13,19,26,28H2,1-2H3/q+1