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

Systemtic Name: 2-(3-fluoranyl-4-tetradecoxy-phenyl)-N-[1-(pyridin-1-ium-1-ylmethyl)cyclohexa-2,4-dien-1-yl]ethanamide bromide Openeye Name: 2-(3-fluoro-4-tetradecoxy-phenyl)-N-[1-(pyridin-1-ium-1-ylmethyl)cyclohexa-2,4-dien-1-yl]acetamide bromide CAS Name: 2-(3-fluoro-4-tetradecoxyphenyl)-N-[1-(1-pyridin-1-iumylmethyl)-1-cyclohexa-2,4-dienyl]acetamide bromide IUPAC Name: 2-(3-fluoro-4-tetradecoxyphenyl)-N-[1-(pyridin-1-ium-1-ylmethyl)cyclohexa-2,4-dien-1-yl]acetamide bromide Traditional Name: 2-(3-fluoro-4-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=C(C=C1)CC(=O)NC2(CC=CC=C2)C[N+]3=CC=CC=C3)F.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NC2(CC=CC=C2)C[N+]3=CC=CC=C3)F.[Br-]

InChI

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