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

Systemtic Name: 2-(4-decoxy-2-methoxy-phenyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: 2-(4-decoxy-2-methoxy-phenyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]acetamide CAS Name: 2-(4-decoxy-2-methoxyphenyl)-N-[(1-propyl-3-pyridin-1-iumyl)methyl]acetamide IUPAC Name: 2-(4-decoxy-2-methoxyphenyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-(4-decoxy-2-methoxy-phenyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]acetamide Formula: C28H43N2O3+ MolecularWeight: 455.65262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O3/c1-4-6-7-8-9-10-11-12-19-33-26-16-15-25(27(21-26)32-3)20-28(31)29-22-24-14-13-18-30(23-24)17-5-2/h13-16,18,21,23H,4-12,17,19-20,22H2,1-3H3/p+1