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

Systemtic Name: 2-(3-ethanoyl-2-hexadecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(3-acetyl-2-hexadecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(3-acetyl-2-hexadecoxyphenyl)-N-[4-(1-pyridin-1-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(3-acetyl-2-hexadecoxyphenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(3-acetyl-2-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=CC=C1CC(=O)NC2=CC=C(C=C2)C[N+]3=CC=CC=C3)C(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1CC(=O)NC2=CC=C(C=C2)C[N+]3=CC=CC=C3)C(=O)C.[Br-]

InChI

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