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

Systemtic Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-2-chloranyl-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide Openeye Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-2-chloro-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide CAS Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-2-chloro-N-[(1-ethyl-4-pyridin-1-iumyl)methyl]benzamide IUPAC Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-2-chloro-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide Traditional Name: N-(3-tert-butyl-4-myristyloxy-benzyl)-2-chloro-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide Formula: C40H58ClN2O2+ MolecularWeight: 634.35372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CC)C(=O)C3=CC=CC=C3Cl)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CC)C(=O)C3=CC=CC=C3Cl)C(C)(C)C

InChI

InChI=1S/C40H58ClN2O2/c1-6-8-9-10-11-12-13-14-15-16-17-20-29-45-38-24-23-34(30-36(38)40(3,4)5)32-43(31-33-25-27-42(7-2)28-26-33)39(44)35-21-18-19-22-37(35)41/h18-19,21-28,30H,6-17,20,29,31-32H2,1-5H3/q+1