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

Systemtic Name: 4-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]piperazin-4-ium-2-one Openeye Name: 4-[(1S)-2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl]-2-piperazin-4-iumone IUPAC Name: 4-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-4-ium-2-one Traditional Name: 4-[(1S)-2-(4-benzylpiperidino)-2-keto-1-methyl-ethyl]piperazin-4-ium-2-one Formula: C19H28N3O2+ MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)[NH+]3CCNC(=O)C3

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)[NH+]3CCNC(=O)C3

InChI

InChI=1S/C19H27N3O2/c1-15(22-12-9-20-18(23)14-22)19(24)21-10-7-17(8-11-21)13-16-5-3-2-4-6-16/h2-6,15,17H,7-14H2,1H3,(H,20,23)/p+1/t15-/m0/s1