N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-2-carboxamide

Systemtic Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-2-carboxamide Openeye Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-2-carboxamide CAS Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-1-methyl-2-pyridin-1-iumcarboxamide IUPAC Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-1-methylpyridin-1-ium-2-carboxamide Traditional Name: N-(3-tert-butyl-4-lauryloxy-benzyl)-1-methyl-pyridin-1-ium-2-carboxamide Formula: C30H47N2O2+ MolecularWeight: 467.70638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=[N+]2C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=[N+]2C)C(C)(C)C

InChI

InChI=1S/C30H46N2O2/c1-6-7-8-9-10-11-12-13-14-17-22-34-28-20-19-25(23-26(28)30(2,3)4)24-31-29(33)27-18-15-16-21-32(27)5/h15-16,18-21,23H,6-14,17,22,24H2,1-5H3/p+1