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

Systemtic Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide Openeye Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide CAS Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]benzamide IUPAC Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide Traditional Name: N-(3-tert-butyl-4-cetyloxy-benzyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide Formula: C42H63N2O2+ MolecularWeight: 627.96182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C42H63N2O2/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-25-32-46-40-30-29-36(33-39(40)42(3,4)5)34-44(41(45)37-26-21-20-22-27-37)35-38-28-23-24-31-43(38)7-2/h20-24,26-31,33H,6-19,25,32,34-35H2,1-5H3/q+1