2-(3-ethanoyl-4-hexadecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]ethanamide bromide

Systemtic Name: 2-(3-ethanoyl-4-hexadecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(3-acetyl-4-hexadecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(3-acetyl-4-hexadecoxyphenyl)-N-[4-(1-pyridin-1-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(3-acetyl-4-hexadecoxyphenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(3-acetyl-4-cetyloxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Formula: C38H53BrN2O3 MolecularWeight: 665.74302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NC2=CC=C(C=C2)C[N+]3=CC=CC=C3)C(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NC2=CC=C(C=C2)C[N+]3=CC=CC=C3)C(=O)C.[Br-]

InChI

InChI=1S/C38H52N2O3.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-28-43-37-25-22-34(29-36(37)32(2)41)30-38(42)39-35-23-20-33(21-24-35)31-40-26-17-16-18-27-40;/h16-18,20-27,29H,3-15,19,28,30-31H2,1-2H3;1H