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

Systemtic Name: [(2S)-1-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[4-(4-methyl-1-piperazin-4-iumyl)anilino]-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-keto-2-[4-(4-methylpiperazin-4-ium-1-yl)anilino]ethyl]ammonium Formula: C20H28N4O+2 MolecularWeight: 340.46252

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C(CC3=CC=CC=C3)[NH3+]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H](CC3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C20H26N4O/c1-23-11-13-24(14-12-23)18-9-7-17(8-10-18)22-20(25)19(21)15-16-5-3-2-4-6-16/h2-10,19H,11-15,21H2,1H3,(H,22,25)/p+2/t19-/m0/s1