1,4-diazepan-4-ium-1-yl-(5-methylpyrazin-2-yl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(5-methylpyrazin-2-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(5-methylpyrazin-2-yl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(5-methyl-2-pyrazinyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(5-methylpyrazin-2-yl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(5-methylpyrazin-2-yl)methanone Formula: C11H17N4O+ MolecularWeight: 221.27888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4O/c1-9-7-14-10(8-13-9)11(16)15-5-2-3-12-4-6-15/h7-8,12H,2-6H2,1H3/p+1