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

Systemtic Name: 1-ethyl-N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-N-phenyl-pyridin-1-ium-2-carboxamide Openeye Name: 1-ethyl-N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-N-phenyl-pyridin-1-ium-2-carboxamide CAS Name: 1-ethyl-N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-N-phenyl-2-pyridin-1-iumcarboxamide IUPAC Name: 1-ethyl-N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-N-phenylpyridin-1-ium-2-carboxamide Traditional Name: N-(4-cetyloxy-3-methoxy-benzyl)-1-ethyl-N-phenyl-pyridin-1-ium-2-carboxamide Formula: C38H55N2O3+ MolecularWeight: 587.8549

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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+]3CC)OC

Isomeric SMILES

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

InChI

InChI=1S/C38H55N2O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-23-30-43-36-28-27-33(31-37(36)42-3)32-40(34-24-19-18-20-25-34)38(41)35-26-21-22-29-39(35)5-2/h18-22,24-29,31H,4-17,23,30,32H2,1-3H3/q+1