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

Systemtic Name: N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(3-chloro-4-tetradecoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-3-carboxamide CAS Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-1-ethyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-1-ethylpyridin-1-ium-3-carboxamide Traditional Name: N-(3-chloro-4-myristyloxy-benzyl)-1-ethyl-pyridin-1-ium-3-carboxamide Formula: C29H44ClN2O2+ MolecularWeight: 488.12486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=C[N+](=CC=C2)CC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=C[N+](=CC=C2)CC)Cl

InChI

InChI=1S/C29H43ClN2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-21-34-28-19-18-25(22-27(28)30)23-31-29(33)26-17-16-20-32(4-2)24-26/h16-20,22,24H,3-15,21,23H2,1-2H3/p+1