[(2S)-3,3-dimethyl-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-2-yl]azanium

Systemtic Name: [(2S)-3,3-dimethyl-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-2-yl]azanium Openeye Name: [(1S)-2,2-dimethyl-1-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]propyl]ammonium CAS Name: [(2S)-3,3-dimethyl-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-2-yl]ammonium IUPAC Name: [(2S)-3,3-dimethyl-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-2-yl]azanium Traditional Name: [(1S)-2,2-dimethyl-1-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]propyl]ammonium Formula: C12H29N3+2 MolecularWeight: 215.37876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1CCC[NH+](CC1)C)[NH3+]

Isomeric SMILES

CC(C)(C)[C@@H](CN1CCC[NH+](CC1)C)[NH3+]

InChI

InChI=1S/C12H27N3/c1-12(2,3)11(13)10-15-7-5-6-14(4)8-9-15/h11H,5-10,13H2,1-4H3/p+2/t11-/m1/s1