N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-3-carboxamide CAS Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-1-methyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-1-methylpyridin-1-ium-3-carboxamide Traditional Name: N-(4-lauryloxy-3-methoxy-benzyl)-1-methyl-pyridin-1-ium-3-carboxamide Formula: C27H41N2O3+ MolecularWeight: 441.62604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O3/c1-4-5-6-7-8-9-10-11-12-13-19-32-25-17-16-23(20-26(25)31-3)21-28-27(30)24-15-14-18-29(2)22-24/h14-18,20,22H,4-13,19,21H2,1-3H3/p+1