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

Systemtic Name: N-[(3-methoxy-4-tetradecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[(3-methoxy-4-tetradecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[(3-methoxy-4-tetradecoxyphenyl)methyl]-1-methyl-N-phenyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-methoxy-4-tetradecoxyphenyl)methyl]-1-methyl-N-phenylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-(3-methoxy-4-myristyloxy-benzyl)-1-methyl-N-phenyl-pyridin-1-ium-4-carboxamide iodide Formula: C35H49IN2O3 MolecularWeight: 672.67963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=[N+](C=C3)C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=[N+](C=C3)C)OC.[I-]

InChI

InChI=1S/C35H49N2O3.HI/c1-4-5-6-7-8-9-10-11-12-13-14-18-27-40-33-22-21-30(28-34(33)39-3)29-37(32-19-16-15-17-20-32)35(38)31-23-25-36(2)26-24-31;/h15-17,19-26,28H,4-14,18,27,29H2,1-3H3;1H/q+1;/p-1