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

Systemtic Name: [(2S)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]azanium Openeye Name: [(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-ethyl]ammonium CAS Name: [(2S)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-benzylpiperazin-4-ium-1-yl)propan-2-yl]azanium Traditional Name: [(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-ethyl]ammonium Formula: C14H25N3+2 MolecularWeight: 235.3684

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CC[NH+](CC1)CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

C[C@@H](CN1CC[NH+](CC1)CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C14H23N3/c1-13(15)11-16-7-9-17(10-8-16)12-14-5-3-2-4-6-14/h2-6,13H,7-12,15H2,1H3/p+2/t13-/m0/s1