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

Systemtic Name: N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-2-carboxamide Openeye Name: N-[(3-chloro-4-tetradecoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-2-carboxamide CAS Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-1-ethyl-2-pyridin-1-iumcarboxamide IUPAC Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-1-ethylpyridin-1-ium-2-carboxamide Traditional Name: N-(3-chloro-4-myristyloxy-benzyl)-1-ethyl-pyridin-1-ium-2-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=CC=CC=[N+]2CC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=[N+]2CC)Cl

InChI

InChI=1S/C29H43ClN2O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-22-34-28-20-19-25(23-26(28)30)24-31-29(33)27-18-15-16-21-32(27)4-2/h15-16,18-21,23H,3-14,17,22,24H2,1-2H3/p+1