[(2S)-1-oxidanylidene-3-phenyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]azanium

Systemtic Name: [(2S)-1-oxidanylidene-3-phenyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-oxo-3-phenyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]ammonium Formula: C20H27N3O+2 MolecularWeight: 325.44788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)[C@H](CC3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C20H25N3O/c21-19(15-17-7-3-1-4-8-17)20(24)23-13-11-22(12-14-23)16-18-9-5-2-6-10-18/h1-10,19H,11-16,21H2/p+2/t19-/m0/s1