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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC[NH2+]CC1)N2C=NC=N2

Isomeric SMILES

C[C@H](C(=O)N1CCC[NH2+]CC1)N2C=NC=N2

InChI

InChI=1S/C10H17N5O/c1-9(15-8-12-7-13-15)10(16)14-5-2-3-11-4-6-14/h7-9,11H,2-6H2,1H3/p+1/t9-/m1/s1