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

Systemtic Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-1-methyl-pyridin-1-ium-2-carboxamide Openeye Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-1-methyl-pyridin-1-ium-2-carboxamide CAS Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-1-methyl-2-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-1-methylpyridin-1-ium-2-carboxamide Traditional Name: N-(4-lauryloxy-2-methyl-benzyl)-1-methyl-pyridin-1-ium-2-carboxamide Formula: C27H41N2O2+ MolecularWeight: 425.62664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O2/c1-4-5-6-7-8-9-10-11-12-15-20-31-25-18-17-24(23(2)21-25)22-28-27(30)26-16-13-14-19-29(26)3/h13-14,16-19,21H,4-12,15,20,22H2,1-3H3/p+1