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

Systemtic Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-2-chloranyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide Openeye Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-2-chloro-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide CAS Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-2-chloro-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzamide IUPAC Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-2-chloro-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide Traditional Name: N-(3-tert-butyl-4-lauryloxy-benzyl)-2-chloro-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide Formula: C37H52ClN2O2+ MolecularWeight: 592.27398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3Cl)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3Cl)C(C)(C)C

InChI

InChI=1S/C37H52ClN2O2/c1-6-7-8-9-10-11-12-13-14-19-26-42-35-24-23-30(27-33(35)37(2,3)4)28-40(29-31-20-17-18-25-39(31)5)36(41)32-21-15-16-22-34(32)38/h15-18,20-25,27H,6-14,19,26,28-29H2,1-5H3/q+1