N-[(4-chloranyl-4-hexadecoxy-cyclohexa-2,5-dien-1-yl)methyl]-1-ethyl-pyridin-1-ium-4-carboxamide iodide

Systemtic Name: N-[(4-chloranyl-4-hexadecoxy-cyclohexa-2,5-dien-1-yl)methyl]-1-ethyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[(4-chloro-4-hexadecoxy-cyclohexa-2,5-dien-1-yl)methyl]-1-ethyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[(4-chloro-4-hexadecoxy-1-cyclohexa-2,5-dienyl)methyl]-1-ethyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(4-chloro-4-hexadecoxycyclohexa-2,5-dien-1-yl)methyl]-1-ethylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-[(4-cetyloxy-4-chloro-cyclohexa-2,5-dien-1-yl)methyl]-1-ethyl-pyridin-1-ium-4-carboxamide iodide Formula: C31H50ClIN2O2 MolecularWeight: 645.09837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H49ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-26-36-31(32)22-18-28(19-23-31)27-33-30(35)29-20-24-34(4-2)25-21-29;/h18-25,28H,3-17,26-27H2,1-2H3;1H