N-[(4-dodecoxy-2-methyl-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide CAS Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-1-propyl-4-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-1-propylpyridin-1-ium-4-carboxamide Traditional Name: N-(4-lauryloxy-2-methyl-benzyl)-1-propyl-pyridin-1-ium-4-carboxamide Formula: C29H45N2O2+ MolecularWeight: 453.6798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N2O2/c1-4-6-7-8-9-10-11-12-13-14-22-33-28-16-15-27(25(3)23-28)24-30-29(32)26-17-20-31(19-5-2)21-18-26/h15-18,20-21,23H,4-14,19,22,24H2,1-3H3/p+1