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

Systemtic Name: N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-2-carboxamide Openeye Name: N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-2-carboxamide CAS Name: N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-1-methyl-N-phenyl-2-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-1-methyl-N-phenylpyridin-1-ium-2-carboxamide Traditional Name: N-(4-cetyloxy-3-methoxy-benzyl)-1-methyl-N-phenyl-pyridin-1-ium-2-carboxamide Formula: C37H53N2O3+ MolecularWeight: 573.82832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3C)OC

InChI

InChI=1S/C37H53N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-29-42-35-27-26-32(30-36(35)41-3)31-39(33-23-18-17-19-24-33)37(40)34-25-20-21-28-38(34)2/h17-21,23-28,30H,4-16,22,29,31H2,1-3H3/q+1