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

Systemtic Name: [(2S)-2-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-propyl]azanium Openeye Name: [(2S)-2-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-propyl]ammonium CAS Name: [(2S)-2-(4-methyl-1-piperazin-4-iumyl)-3-phenylpropyl]ammonium IUPAC Name: [(2S)-2-(4-methylpiperazin-4-ium-1-yl)-3-phenylpropyl]azanium Traditional Name: [(2S)-2-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-propyl]ammonium Formula: C14H25N3+2 MolecularWeight: 235.3684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CC2=CC=CC=C2)C[NH3+]

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H](CC2=CC=CC=C2)C[NH3+]

InChI

InChI=1S/C14H23N3/c1-16-7-9-17(10-8-16)14(12-15)11-13-5-3-2-4-6-13/h2-6,14H,7-12,15H2,1H3/p+2/t14-/m0/s1