1-(1,4-diazepan-4-ium-1-yl)-3-(1,2,3-triazol-1-yl)propan-1-one

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(1,2,3-triazol-1-yl)propan-1-one Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(triazol-1-yl)propan-1-one CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(1-triazolyl)-1-propanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(triazol-1-yl)propan-1-one Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(triazol-1-yl)propan-1-one Formula: C10H18N5O+ MolecularWeight: 224.28282

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)CCN2C=CN=N2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)CCN2C=CN=N2

InChI

InChI=1S/C10H17N5O/c16-10(2-7-15-9-5-12-13-15)14-6-1-3-11-4-8-14/h5,9,11H,1-4,6-8H2/p+1