2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone CAS Name: 2-(4-ethyl-1-piperazine-1,4-diiumyl)-1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[(5S)-5-phenyl-3-pyrazolin-1-yl]ethanone Formula: C17H26N4O+2 MolecularWeight: 302.41454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC(=O)N2C(C=CN2)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC(=O)N2[C@@H](C=CN2)C3=CC=CC=C3

InChI

InChI=1S/C17H24N4O/c1-2-19-10-12-20(13-11-19)14-17(22)21-16(8-9-18-21)15-6-4-3-5-7-15/h3-9,16,18H,2,10-14H2,1H3/p+2/t16-/m0/s1