N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide

Systemtic Name: N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide Openeye Name: N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide CAS Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]benzamide IUPAC Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide Formula: C38H54ClN2O2+ MolecularWeight: 606.30056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C38H54ClN2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-22-29-43-37-27-26-33(30-36(37)39)31-41(38(42)34-23-18-17-19-24-34)32-35-25-20-21-28-40(35)4-2/h17-21,23-28,30H,3-16,22,29,31-32H2,1-2H3/q+1