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

Systemtic Name: N-[(4-chloranyl-4-hexadecoxy-cyclohexa-2,5-dien-1-yl)methyl]-1-ethyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[(4-chloro-4-hexadecoxy-cyclohexa-2,5-dien-1-yl)methyl]-1-ethyl-pyridin-1-ium-4-carboxamide CAS Name: N-[(4-chloro-4-hexadecoxy-1-cyclohexa-2,5-dienyl)methyl]-1-ethyl-4-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-chloro-4-hexadecoxycyclohexa-2,5-dien-1-yl)methyl]-1-ethylpyridin-1-ium-4-carboxamide Traditional Name: N-[(4-cetyloxy-4-chloro-cyclohexa-2,5-dien-1-yl)methyl]-1-ethyl-pyridin-1-ium-4-carboxamide Formula: C31H50ClN2O2+ MolecularWeight: 518.1939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H49ClN2O2/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/p+1