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

Systemtic Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-2-carboxamide Openeye Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-2-carboxamide CAS Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-1-methyl-N-phenyl-2-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-1-methyl-N-phenylpyridin-1-ium-2-carboxamide Traditional Name: N-(4-lauryloxy-2-methyl-benzyl)-1-methyl-N-phenyl-pyridin-1-ium-2-carboxamide Formula: C33H45N2O2+ MolecularWeight: 501.7226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3C)C

InChI

InChI=1S/C33H45N2O2/c1-4-5-6-7-8-9-10-11-12-18-25-37-31-23-22-29(28(2)26-31)27-35(30-19-14-13-15-20-30)33(36)32-21-16-17-24-34(32)3/h13-17,19-24,26H,4-12,18,25,27H2,1-3H3/q+1