2-(2-chloranyl-4-decoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]ethanamide

Systemtic Name: 2-(2-chloranyl-4-decoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: 2-(2-chloro-4-decoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide CAS Name: 2-(2-chloro-4-decoxyphenyl)-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]acetamide IUPAC Name: 2-(2-chloro-4-decoxyphenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-(2-chloro-4-decoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide Formula: C26H38ClN2O2+ MolecularWeight: 446.04512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=C(C=C1)CC(=O)NCC2=C[N+](=CC=C2)CC)Cl

Isomeric SMILES

CCCCCCCCCCOC1=CC(=C(C=C1)CC(=O)NCC2=C[N+](=CC=C2)CC)Cl

InChI

InChI=1S/C26H37ClN2O2/c1-3-5-6-7-8-9-10-11-17-31-24-15-14-23(25(27)19-24)18-26(30)28-20-22-13-12-16-29(4-2)21-22/h12-16,19,21H,3-11,17-18,20H2,1-2H3/p+1