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

Systemtic Name: [(2S)-2-(2-methylphenyl)-2-[4-(2-methylpropyl)piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: [(2S)-2-(4-isobutylpiperazin-4-ium-1-yl)-2-(o-tolyl)ethyl]ammonium CAS Name: [(2S)-2-(2-methylphenyl)-2-[4-(2-methylpropyl)-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: [(2S)-2-(2-methylphenyl)-2-[4-(2-methylpropyl)piperazin-4-ium-1-yl]ethyl]azanium Traditional Name: [(2S)-2-(4-isobutylpiperazin-4-ium-1-yl)-2-(o-tolyl)ethyl]ammonium Formula: C17H31N3+2 MolecularWeight: 277.44814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C[NH3+])N2CC[NH+](CC2)CC(C)C

Isomeric SMILES

CC1=CC=CC=C1[C@@H](C[NH3+])N2CC[NH+](CC2)CC(C)C

InChI

InChI=1S/C17H29N3/c1-14(2)13-19-8-10-20(11-9-19)17(12-18)16-7-5-4-6-15(16)3/h4-7,14,17H,8-13,18H2,1-3H3/p+2/t17-/m1/s1