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

Systemtic Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-3-carboxamide CAS Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-1-methyl-N-phenyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-1-methyl-N-phenylpyridin-1-ium-3-carboxamide Traditional Name: N-(4-lauryloxy-2-methyl-benzyl)-1-methyl-N-phenyl-pyridin-1-ium-3-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=C[N+](=CC=C3)C)C

Isomeric SMILES

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

InChI

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