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

Systemtic Name: N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-1-ethyl-N-phenyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-1-ethyl-N-phenylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-1-ethyl-N-phenyl-pyridin-1-ium-4-carboxamide iodide Formula: C37H52ClIN2O2 MolecularWeight: 719.17845

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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=[N+](C=C3)CC)Cl.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C37H52ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-29-42-36-24-23-32(30-35(36)38)31-40(34-21-18-17-19-22-34)37(41)33-25-27-39(4-2)28-26-33;/h17-19,21-28,30H,3-16,20,29,31H2,1-2H3;1H/q+1;/p-1