2-(3-tert-butyl-4-hexadecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]ethanamide

Systemtic Name: 2-(3-tert-butyl-4-hexadecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]ethanamide Openeye Name: 2-(3-tert-butyl-4-hexadecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide CAS Name: 2-(3-tert-butyl-4-hexadecoxyphenyl)-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]acetamide IUPAC Name: 2-(3-tert-butyl-4-hexadecoxyphenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide Traditional Name: 2-(3-tert-butyl-4-cetyloxy-phenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide Formula: C36H59N2O2+ MolecularWeight: 551.86586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=CC=CC=[N+]2CC)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=CC=CC=[N+]2CC)C(C)(C)C

InChI

InChI=1S/C36H58N2O2/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-22-27-40-34-25-24-31(28-33(34)36(3,4)5)29-35(39)37-30-32-23-20-21-26-38(32)7-2/h20-21,23-26,28H,6-19,22,27,29-30H2,1-5H3/p+1