1-[3-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[3-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]methyl]phenyl]ethanone CAS Name: 1-[3-[[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]methyl]phenyl]ethanone IUPAC Name: 1-[3-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[3-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]methyl]phenyl]ethanone Formula: C24H32N3O+ MolecularWeight: 378.53038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)CN2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)CN2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H31N3O/c1-20(28)22-8-5-7-21(17-22)18-25-12-6-11-24(19-25)27-15-13-26(14-16-27)23-9-3-2-4-10-23/h2-5,7-10,17,24H,6,11-16,18-19H2,1H3/p+1/t24-/m0/s1