2-(4-chloranyl-3-hexadecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(4-chloranyl-3-hexadecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(4-chloro-3-hexadecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-(4-chloro-3-hexadecoxyphenyl)-N-[4-(1-pyridin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(4-chloro-3-hexadecoxyphenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-(3-cetyloxy-4-chloro-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C36H50ClN2O2+ MolecularWeight: 578.2474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)CC(=O)NC2=CC=C(C=C2)C[N+]3=CC=CC=C3)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)CC(=O)NC2=CC=C(C=C2)C[N+]3=CC=CC=C3)Cl

InChI

InChI=1S/C36H49ClN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-27-41-35-28-32(21-24-34(35)37)29-36(40)38-33-22-19-31(20-23-33)30-39-25-16-15-17-26-39/h15-17,19-26,28H,2-14,18,27,29-30H2,1H3/p+1