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

Systemtic Name: 1-ethyl-N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-N-phenyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: 1-ethyl-N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-N-phenyl-pyridin-1-ium-3-carboxamide iodide CAS Name: 1-ethyl-N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-N-phenyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: 1-ethyl-N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-N-phenylpyridin-1-ium-3-carboxamide iodide Traditional Name: N-(4-cetyloxy-3-methoxy-benzyl)-1-ethyl-N-phenyl-pyridin-1-ium-3-carboxamide iodide Formula: C38H55IN2O3 MolecularWeight: 714.75937

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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