[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methylphenyl)ethyl]azanium

Systemtic Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methylphenyl)ethyl]azanium Openeye Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(p-tolyl)ethyl]ammonium CAS Name: [(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(4-methylphenyl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methylphenyl)ethyl]azanium Traditional Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(p-tolyl)ethyl]ammonium Formula: C15H27N3+2 MolecularWeight: 249.39498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3/c1-3-17-8-10-18(11-9-17)15(12-16)14-6-4-13(2)5-7-14/h4-7,15H,3,8-12,16H2,1-2H3/p+2/t15-/m1/s1