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

Systemtic Name: (2R)-1-(1,4-diazepan-4-ium-1-yl)-2-pyrazol-1-yl-propan-1-one Openeye Name: (2R)-1-(1,4-diazepan-4-ium-1-yl)-2-pyrazol-1-yl-propan-1-one CAS Name: (2R)-1-(1,4-diazepan-4-ium-1-yl)-2-(1-pyrazolyl)-1-propanone IUPAC Name: (2R)-1-(1,4-diazepan-4-ium-1-yl)-2-pyrazol-1-ylpropan-1-one Traditional Name: (2R)-1-(1,4-diazepan-4-ium-1-yl)-2-pyrazol-1-yl-propan-1-one Formula: C11H19N4O+ MolecularWeight: 223.29476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N4O/c1-10(15-8-3-5-13-15)11(16)14-7-2-4-12-6-9-14/h3,5,8,10,12H,2,4,6-7,9H2,1H3/p+1/t10-/m1/s1