2-(3-fluoranyl-2-tetradecoxy-phenyl)-N-[1-(pyridin-1-ium-1-ylmethyl)cyclohexa-2,4-dien-1-yl]ethanamide bromide

Systemtic Name: 2-(3-fluoranyl-2-tetradecoxy-phenyl)-N-[1-(pyridin-1-ium-1-ylmethyl)cyclohexa-2,4-dien-1-yl]ethanamide bromide Openeye Name: 2-(3-fluoro-2-tetradecoxy-phenyl)-N-[1-(pyridin-1-ium-1-ylmethyl)cyclohexa-2,4-dien-1-yl]acetamide bromide CAS Name: 2-(3-fluoro-2-tetradecoxyphenyl)-N-[1-(1-pyridin-1-iumylmethyl)-1-cyclohexa-2,4-dienyl]acetamide bromide IUPAC Name: 2-(3-fluoro-2-tetradecoxyphenyl)-N-[1-(pyridin-1-ium-1-ylmethyl)cyclohexa-2,4-dien-1-yl]acetamide bromide Traditional Name: 2-(3-fluoro-2-myristyloxy-phenyl)-N-[1-(pyridin-1-ium-1-ylmethyl)cyclohexa-2,4-dien-1-yl]acetamide bromide Formula: C34H48BrFN2O2 MolecularWeight: 615.659523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1F)CC(=O)NC2(CC=CC=C2)C[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1F)CC(=O)NC2(CC=CC=C2)C[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C34H47FN2O2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-19-27-39-33-30(21-20-22-31(33)35)28-32(38)36-34(23-15-13-16-24-34)29-37-25-17-14-18-26-37;/h13-18,20-23,25-26H,2-12,19,24,27-29H2,1H3;1H