1,4-diazepan-4-ium-1-yl-(6-methylpyridin-2-yl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(6-methylpyridin-2-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(6-methyl-2-pyridyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(6-methyl-2-pyridinyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(6-methylpyridin-2-yl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(6-methyl-2-pyridyl)methanone Formula: C12H18N3O+ MolecularWeight: 220.29082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CC1=CC=CC(=N1)C(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C12H17N3O/c1-10-4-2-5-11(14-10)12(16)15-8-3-6-13-7-9-15/h2,4-5,13H,3,6-9H2,1H3/p+1