1,4-diazepan-4-ium-1-yl-(6-methylpyridin-3-yl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(6-methylpyridin-3-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(6-methyl-3-pyridyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(6-methyl-3-pyridinyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(6-methylpyridin-3-yl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(6-methyl-3-pyridyl)methanone Formula: C12H18N3O+ MolecularWeight: 220.29082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C12H17N3O/c1-10-3-4-11(9-14-10)12(16)15-7-2-5-13-6-8-15/h3-4,9,13H,2,5-8H2,1H3/p+1