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

Systemtic Name: N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-2-carboxamide Openeye Name: N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-2-carboxamide CAS Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-1-ethyl-2-pyridin-1-iumcarboxamide IUPAC Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-1-ethylpyridin-1-ium-2-carboxamide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-1-ethyl-pyridin-1-ium-2-carboxamide Formula: C31H48ClN2O2+ MolecularWeight: 516.17802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=[N+]2CC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=[N+]2CC)Cl

InChI

InChI=1S/C31H47ClN2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-24-36-30-22-21-27(25-28(30)32)26-33-31(35)29-20-17-18-23-34(29)4-2/h17-18,20-23,25H,3-16,19,24,26H2,1-2H3/p+1