2-(3-tert-butyl-2-tetradecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]ethanamide bromide

Systemtic Name: 2-(3-tert-butyl-2-tetradecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(3-tert-butyl-2-tetradecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(3-tert-butyl-2-tetradecoxyphenyl)-N-[4-(1-pyridin-1-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(3-tert-butyl-2-tetradecoxyphenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(3-tert-butyl-2-myristyloxy-phenyl)-N-[4-(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=C1C(C)(C)C)CC(=O)NC2=CC=C(C=C2)C[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)CC(=O)NC2=CC=C(C=C2)C[N+]3=CC=CC=C3.[Br-]

InChI

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