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

Systemtic Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-2-chloranyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide Openeye Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-2-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide CAS Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-2-chloro-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]benzamide IUPAC Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-2-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide Traditional Name: N-(3-tert-butyl-4-cetyloxy-benzyl)-2-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide Formula: C42H62ClN2O2+ MolecularWeight: 662.40688

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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=C3Cl)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3Cl)C(C)(C)C

InChI

InChI=1S/C42H62ClN2O2/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-24-31-47-40-29-28-35(32-38(40)42(3,4)5)33-45(34-36-25-22-23-30-44(36)7-2)41(46)37-26-20-21-27-39(37)43/h20-23,25-30,32H,6-19,24,31,33-34H2,1-5H3/q+1