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

Systemtic Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-2-chloranyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide Openeye Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-2-chloro-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide CAS Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-2-chloro-N-[(1-methyl-4-pyridin-1-iumyl)methyl]benzamide IUPAC Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-2-chloro-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide Traditional Name: N-(3-tert-butyl-2-myristyloxy-benzyl)-2-chloro-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide Formula: C39H56ClN2O2+ MolecularWeight: 620.32714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)CN(CC2=CC=[N+](C=C2)C)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)CN(CC2=CC=[N+](C=C2)C)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C39H56ClN2O2/c1-6-7-8-9-10-11-12-13-14-15-16-19-29-44-37-33(21-20-23-35(37)39(2,3)4)31-42(30-32-25-27-41(5)28-26-32)38(43)34-22-17-18-24-36(34)40/h17-18,20-28H,6-16,19,29-31H2,1-5H3/q+1