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

Systemtic Name: [(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(4-chlorophenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]ammonium Formula: C13H23ClN3+3 MolecularWeight: 256.79482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20ClN3/c1-16-6-8-17(9-7-16)13(10-15)11-2-4-12(14)5-3-11/h2-5,13H,6-10,15H2,1H3/p+3/t13-/m1/s1