[(2S)-butan-2-yl]-[2-methyl-2-(4-methylpiperazin-4-ium-1-yl)propyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[2-methyl-2-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: [2-methyl-2-(4-methylpiperazin-4-ium-1-yl)propyl]-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[2-methyl-2-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[2-methyl-2-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: [2-methyl-2-(4-methylpiperazin-4-ium-1-yl)propyl]-[(1S)-1-methylpropyl]ammonium Formula: C13H31N3+2 MolecularWeight: 229.40534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC(C)(C)N1CC[NH+](CC1)C

Isomeric SMILES

CC[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](CC1)C

InChI

InChI=1S/C13H29N3/c1-6-12(2)14-11-13(3,4)16-9-7-15(5)8-10-16/h12,14H,6-11H2,1-5H3/p+2/t12-/m0/s1