(2S)-1-[4-(phenylmethyl)piperazin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (2S)-1-[4-(phenylmethyl)piperazin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2S)-1-(4-benzylpiperazin-1-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2S)-1-[4-(phenylmethyl)-1-piperazinyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-(4-benzylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2S)-1-(4-benzylpiperazino)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propan-1-one Formula: C23H32N5O+ MolecularWeight: 394.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)CC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H31N5O/c1-20(26-15-17-27(18-16-26)22-9-5-6-10-24-22)23(29)28-13-11-25(12-14-28)19-21-7-3-2-4-8-21/h2-10,20H,11-19H2,1H3/p+1/t20-/m0/s1