(2S)-1-(4-phenylpiperazin-1-yl)-2-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: (2S)-1-(4-phenylpiperazin-1-yl)-2-piperazin-4-ium-1-yl-propan-1-one Openeye Name: (2S)-1-(4-phenylpiperazin-1-yl)-2-piperazin-4-ium-1-yl-propan-1-one CAS Name: (2S)-1-(4-phenyl-1-piperazinyl)-2-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-1-(4-phenylpiperazin-1-yl)-2-piperazin-4-ium-1-ylpropan-1-one Traditional Name: (2S)-1-(4-phenylpiperazino)-2-piperazin-4-ium-1-yl-propan-1-one Formula: C17H27N4O+ MolecularWeight: 303.42248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)N3CC[NH2+]CC3

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C17H26N4O/c1-15(19-9-7-18-8-10-19)17(22)21-13-11-20(12-14-21)16-5-3-2-4-6-16/h2-6,15,18H,7-14H2,1H3/p+1/t15-/m0/s1