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

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

Isomeric SMILES

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

InChI

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