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

Systemtic Name: [(2S)-3-phenyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]azanium Openeye Name: [(2S)-2-(4-benzylpiperazin-4-ium-1-yl)-3-phenyl-propyl]ammonium CAS Name: [(2S)-3-phenyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]ammonium IUPAC Name: [(2S)-2-(4-benzylpiperazin-4-ium-1-yl)-3-phenylpropyl]azanium Traditional Name: [(2S)-2-(4-benzylpiperazin-4-ium-1-yl)-3-phenyl-propyl]ammonium Formula: C20H29N3+2 MolecularWeight: 311.46436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3/c21-16-20(15-18-7-3-1-4-8-18)23-13-11-22(12-14-23)17-19-9-5-2-6-10-19/h1-10,20H,11-17,21H2/p+2/t20-/m0/s1