[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-ethyl]azanium

Systemtic Name: [(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-ethyl]azanium Openeye Name: [(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-ethyl]ammonium CAS Name: [(2S)-2-(4-methyl-1-piperazine-1,4-diiumyl)-2-phenylethyl]ammonium IUPAC Name: [(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenylethyl]azanium Traditional Name: [(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-ethyl]ammonium Formula: C13H24N3+3 MolecularWeight: 222.34976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3/c1-15-7-9-16(10-8-15)13(11-14)12-5-3-2-4-6-12/h2-6,13H,7-11,14H2,1H3/p+3/t13-/m1/s1