2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]ethanamide

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]ethanamide Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]acetamide CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridinyl]methyl]acetamide IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]acetamide Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]acetamide Formula: C19H29N6O+ MolecularWeight: 357.47316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NCC2=C(N=CC=C2)N3CCC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)NCC2=C(N=CC=C2)N3CCC[NH+](CC3)C)C

InChI

InChI=1S/C19H28N6O/c1-15-12-16(2)25(22-15)14-18(26)21-13-17-6-4-7-20-19(17)24-9-5-8-23(3)10-11-24/h4,6-7,12H,5,8-11,13-14H2,1-3H3,(H,21,26)/p+1