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

Systemtic Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide CAS Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]acetamide IUPAC Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: N-(3-tert-butyl-4-lauryloxy-benzyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide Formula: C33H53N2O2+ MolecularWeight: 509.78612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CC)C(=O)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CC)C(=O)C)C(C)(C)C

InChI

InChI=1S/C33H53N2O2/c1-7-9-10-11-12-13-14-15-16-17-23-37-32-21-20-29(24-31(32)33(4,5)6)26-35(28(3)36)27-30-19-18-22-34(8-2)25-30/h18-22,24-25H,7-17,23,26-27H2,1-6H3/q+1