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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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