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

Systemtic Name: N-[1-(3-chloranyl-4-tetradecoxy-phenyl)propyl]-1-ethyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[1-(3-chloro-4-tetradecoxy-phenyl)propyl]-1-ethyl-pyridin-1-ium-4-carboxamide CAS Name: N-[1-(3-chloro-4-tetradecoxyphenyl)propyl]-1-ethyl-4-pyridin-1-iumcarboxamide IUPAC Name: N-[1-(3-chloro-4-tetradecoxyphenyl)propyl]-1-ethylpyridin-1-ium-4-carboxamide Traditional Name: N-[1-(3-chloro-4-myristyloxy-phenyl)propyl]-1-ethyl-pyridin-1-ium-4-carboxamide Formula: C31H48ClN2O2+ MolecularWeight: 516.17802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H47ClN2O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-24-36-30-19-18-27(25-28(30)32)29(5-2)33-31(35)26-20-22-34(6-3)23-21-26/h18-23,25,29H,4-17,24H2,1-3H3/p+1