3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)propan-1-one

Systemtic Name: 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)propan-1-one Openeye Name: 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-isopropyl-1,4-diazepan-4-ium-1-yl)propan-1-one CAS Name: 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)-1-propanone IUPAC Name: 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-propan-2-yl-1,4-diazepan-4-ium-1-yl)propan-1-one Traditional Name: 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-isopropyl-1,4-diazepan-4-ium-1-yl)propan-1-one Formula: C16H29N4O+ MolecularWeight: 293.42766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CCC(=O)N2CCC[NH+](CC2)C(C)C

Isomeric SMILES

CC1=C(C(=NN1)C)CCC(=O)N2CCC[NH+](CC2)C(C)C

InChI

InChI=1S/C16H28N4O/c1-12(2)19-8-5-9-20(11-10-19)16(21)7-6-15-13(3)17-18-14(15)4/h12H,5-11H2,1-4H3,(H,17,18)/p+1