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

Systemtic Name: 4-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]piperazin-4-ium-2-one Openeye Name: 4-[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]-2-piperazin-4-iumone IUPAC Name: 4-[(2R)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]piperazin-4-ium-2-one Traditional Name: 4-[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]piperazin-4-ium-2-one Formula: C18H28N4O2+2 MolecularWeight: 332.44052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)[NH+]3CCNC(=O)C3

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)[NH+]3CCNC(=O)C3

InChI

InChI=1S/C18H26N4O2/c1-15(22-8-7-19-17(23)14-22)18(24)21-11-9-20(10-12-21)13-16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3,(H,19,23)/p+2/t15-/m1/s1