2-(2-chloranyl-4-hexadecoxy-phenyl)-N-[4-[(3,5-dimethylpyridin-1-ium-1-yl)methyl]phenyl]ethanamide

Systemtic Name: 2-(2-chloranyl-4-hexadecoxy-phenyl)-N-[4-[(3,5-dimethylpyridin-1-ium-1-yl)methyl]phenyl]ethanamide Openeye Name: 2-(2-chloro-4-hexadecoxy-phenyl)-N-[4-[(3,5-dimethylpyridin-1-ium-1-yl)methyl]phenyl]acetamide CAS Name: 2-(2-chloro-4-hexadecoxyphenyl)-N-[4-[(3,5-dimethyl-1-pyridin-1-iumyl)methyl]phenyl]acetamide IUPAC Name: 2-(2-chloro-4-hexadecoxyphenyl)-N-[4-[(3,5-dimethylpyridin-1-ium-1-yl)methyl]phenyl]acetamide Traditional Name: 2-(4-cetyloxy-2-chloro-phenyl)-N-[4-[(3,5-dimethylpyridin-1-ium-1-yl)methyl]phenyl]acetamide Formula: C38H54ClN2O2+ MolecularWeight: 606.30056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H53ClN2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-43-36-23-20-34(37(39)27-36)26-38(42)40-35-21-18-33(19-22-35)30-41-28-31(2)25-32(3)29-41/h18-23,25,27-29H,4-17,24,26,30H2,1-3H3/p+1