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

Systemtic Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide CAS Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-1-methyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-1-methylpyridin-1-ium-3-carboxamide iodide Traditional Name: N-(4-cetyloxy-2-methyl-benzyl)-1-methyl-pyridin-1-ium-3-carboxamide iodide Formula: C31H49IN2O2 MolecularWeight: 608.63743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H48N2O2.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-35-30-21-20-28(27(2)24-30)25-32-31(34)29-19-18-22-33(3)26-29;/h18-22,24,26H,4-17,23,25H2,1-3H3;1H