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

Systemtic Name: 1-ethyl-N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-N-phenyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: 1-ethyl-N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-N-phenyl-pyridin-1-ium-4-carboxamide iodide CAS Name: 1-ethyl-N-[(4-hexadecoxy-2-methylphenyl)methyl]-N-phenyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: 1-ethyl-N-[(4-hexadecoxy-2-methylphenyl)methyl]-N-phenylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-(4-cetyloxy-2-methyl-benzyl)-1-ethyl-N-phenyl-pyridin-1-ium-4-carboxamide iodide Formula: C38H55IN2O2 MolecularWeight: 698.75997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H55N2O2.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-30-42-37-25-24-35(33(3)31-37)32-40(36-22-19-18-20-23-36)38(41)34-26-28-39(5-2)29-27-34;/h18-20,22-29,31H,4-17,21,30,32H2,1-3H3;1H/q+1;/p-1