1-(6-methylpyrimidin-4-yl)-1,4-diazepan-4-ium

Systemtic Name: 1-(6-methylpyrimidin-4-yl)-1,4-diazepan-4-ium Openeye Name: 1-(6-methylpyrimidin-4-yl)-1,4-diazepan-4-ium CAS Name: 1-(6-methyl-4-pyrimidinyl)-1,4-diazepan-4-ium IUPAC Name: 1-(6-methylpyrimidin-4-yl)-1,4-diazepan-4-ium Traditional Name: 1-(6-methylpyrimidin-4-yl)-1,4-diazepan-4-ium Formula: C10H17N4+ MolecularWeight: 193.26878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16N4/c1-9-7-10(13-8-12-9)14-5-2-3-11-4-6-14/h7-8,11H,2-6H2,1H3/p+1