N-[1-(3-chloranyl-4-hexadecoxy-phenyl)ethyl]-1-ethyl-pyridin-1-ium-2-carboxamide

Systemtic Name: N-[1-(3-chloranyl-4-hexadecoxy-phenyl)ethyl]-1-ethyl-pyridin-1-ium-2-carboxamide Openeye Name: N-[1-(3-chloro-4-hexadecoxy-phenyl)ethyl]-1-ethyl-pyridin-1-ium-2-carboxamide CAS Name: N-[1-(3-chloro-4-hexadecoxyphenyl)ethyl]-1-ethyl-2-pyridin-1-iumcarboxamide IUPAC Name: N-[1-(3-chloro-4-hexadecoxyphenyl)ethyl]-1-ethylpyridin-1-ium-2-carboxamide Traditional Name: N-[1-(4-cetyloxy-3-chloro-phenyl)ethyl]-1-ethyl-pyridin-1-ium-2-carboxamide Formula: C32H50ClN2O2+ MolecularWeight: 530.2046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2CC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2CC)Cl

InChI

InChI=1S/C32H49ClN2O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-25-37-31-23-22-28(26-29(31)33)27(3)34-32(36)30-21-18-19-24-35(30)5-2/h18-19,21-24,26-27H,4-17,20,25H2,1-3H3/p+1