N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-4-carboxamide CAS Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-1-methyl-N-phenyl-4-pyridin-1-iumcarboxamide IUPAC Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-1-methyl-N-phenylpyridin-1-ium-4-carboxamide Traditional Name: N-(3-tert-butyl-4-cetyloxy-benzyl)-1-methyl-N-phenyl-pyridin-1-ium-4-carboxamide Formula: C40H59N2O2+ MolecularWeight: 599.90866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=[N+](C=C3)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=[N+](C=C3)C)C(C)(C)C

InChI

InChI=1S/C40H59N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31-44-38-26-25-34(32-37(38)40(2,3)4)33-42(36-23-20-19-21-24-36)39(43)35-27-29-41(5)30-28-35/h19-21,23-30,32H,6-18,22,31,33H2,1-5H3/q+1