N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]-2-(4-methylphenoxy)ethanamide

Systemtic Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]-2-(4-methylphenoxy)ethanamide Openeye Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]-2-(4-methylphenoxy)acetamide CAS Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenoxy)acetamide IUPAC Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]-2-(4-methylphenoxy)acetamide Traditional Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]-2-(4-methylphenoxy)acetamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)NCC2=C(N=CC=C2)N3CCC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)NCC2=C(N=CC=C2)N3CCC[NH+](CC3)C

InChI

InChI=1S/C21H28N4O2/c1-17-6-8-19(9-7-17)27-16-20(26)23-15-18-5-3-10-22-21(18)25-12-4-11-24(2)13-14-25/h3,5-10H,4,11-16H2,1-2H3,(H,23,26)/p+1