[(2S)-2-(2,4-dimethylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(2,4-dimethylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(2,4-dimethylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(2,4-dimethylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2S)-2-(2,4-dimethylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(2,4-dimethylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C15H27N3+2 MolecularWeight: 249.39498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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