2-(4-tert-butyl-2-tetradecoxy-phenyl)-N-[2-(pyridin-1-ium-1-ylmethyl)phenyl]ethanamide bromide

Systemtic Name: 2-(4-tert-butyl-2-tetradecoxy-phenyl)-N-[2-(pyridin-1-ium-1-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(4-tert-butyl-2-tetradecoxy-phenyl)-N-[2-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(4-tert-butyl-2-tetradecoxyphenyl)-N-[2-(1-pyridin-1-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(4-tert-butyl-2-tetradecoxyphenyl)-N-[2-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(4-tert-butyl-2-myristyloxy-phenyl)-N-[2-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Formula: C38H55BrN2O2 MolecularWeight: 651.7595

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(C)(C)C)CC(=O)NC2=CC=CC=C2C[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(C)(C)C)CC(=O)NC2=CC=CC=C2C[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C38H54N2O2.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-21-28-42-36-30-34(38(2,3)4)25-24-32(36)29-37(41)39-35-23-18-17-22-33(35)31-40-26-19-16-20-27-40;/h16-20,22-27,30H,5-15,21,28-29,31H2,1-4H3;1H