N-(3-chloranyl-4-dodecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-dodecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: N-(3-chloro-4-dodecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide CAS Name: N-(3-chloro-4-dodecoxyphenyl)-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]acetamide IUPAC Name: N-(3-chloro-4-dodecoxyphenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: N-(3-chloro-4-lauryloxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide Formula: C28H42ClN2O2+ MolecularWeight: 474.09828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)N(CC2=C[N+](=CC=C2)CC)C(=O)C)Cl

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)N(CC2=C[N+](=CC=C2)CC)C(=O)C)Cl

InChI

InChI=1S/C28H42ClN2O2/c1-4-6-7-8-9-10-11-12-13-14-20-33-28-18-17-26(21-27(28)29)31(24(3)32)23-25-16-15-19-30(5-2)22-25/h15-19,21-22H,4-14,20,23H2,1-3H3/q+1