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

Systemtic Name: 4-[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-4-ium-2-one Openeye Name: 4-[(1S)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: 4-[(2S)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]-2-piperazin-4-iumone IUPAC Name: 4-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-4-ium-2-one Traditional Name: 4-[(1S)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]piperazin-4-ium-2-one Formula: C17H25N4O2+ MolecularWeight: 317.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)[NH+]3CCNC(=O)C3

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)[NH+]3CCNC(=O)C3

InChI

InChI=1S/C17H24N4O2/c1-14(21-8-7-18-16(22)13-21)17(23)20-11-9-19(10-12-20)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3,(H,18,22)/p+1/t14-/m0/s1