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

Systemtic Name: N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide Openeye Name: N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide CAS Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[(1-ethyl-4-pyridin-1-iumyl)methyl]benzamide IUPAC Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-N-[(1-ethylpyridin-1-ium-4-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=[N+](C=C2)CC)C(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CC)C(=O)C3=CC=CC=C3)Cl

InChI

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