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

Systemtic Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-3-carboxamide CAS Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-1-methyl-N-phenyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-1-methyl-N-phenylpyridin-1-ium-3-carboxamide Traditional Name: N-(4-lauryloxy-3-methoxy-benzyl)-1-methyl-N-phenyl-pyridin-1-ium-3-carboxamide Formula: C33H45N2O3+ MolecularWeight: 517.722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H45N2O3/c1-4-5-6-7-8-9-10-11-12-16-24-38-31-22-21-28(25-32(31)37-3)26-35(30-19-14-13-15-20-30)33(36)29-18-17-23-34(2)27-29/h13-15,17-23,25,27H,4-12,16,24,26H2,1-3H3/q+1