1-(1,4-diazepan-4-ium-1-yl)-2-(1,2,4-triazol-1-yl)ethanone

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(1,2,4-triazol-1-yl)ethanone Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(1,2,4-triazol-1-yl)ethanone CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(1,2,4-triazol-1-yl)ethanone Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(1,2,4-triazol-1-yl)ethanone Formula: C9H16N5O+ MolecularWeight: 210.25624

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)CN2C=NC=N2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)CN2C=NC=N2

InChI

InChI=1S/C9H15N5O/c15-9(6-14-8-11-7-12-14)13-4-1-2-10-3-5-13/h7-8,10H,1-6H2/p+1