2-(3-tert-butyl-4-decoxy-phenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]ethanamide

Systemtic Name: 2-(3-tert-butyl-4-decoxy-phenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: 2-(3-tert-butyl-4-decoxy-phenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide CAS Name: 2-(3-tert-butyl-4-decoxyphenyl)-N-[(1-methyl-3-pyridin-1-iumyl)methyl]acetamide IUPAC Name: 2-(3-tert-butyl-4-decoxyphenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-(3-tert-butyl-4-decoxy-phenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide Formula: C29H45N2O2+ MolecularWeight: 453.6798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N2O2/c1-6-7-8-9-10-11-12-13-19-33-27-17-16-24(20-26(27)29(2,3)4)21-28(32)30-22-25-15-14-18-31(5)23-25/h14-18,20,23H,6-13,19,21-22H2,1-5H3/p+1