dimethyl-[[2-[[[(2S,3S)-3-methylpentan-2-yl]azaniumyl]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[[(2S,3S)-3-methylpentan-2-yl]azaniumyl]methyl]phenyl]methyl]azanium Openeye Name: [2-[[[(1S,2S)-1,2-dimethylbutyl]ammonio]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: dimethyl-[[2-[[[(2S,3S)-3-methylpentan-2-yl]ammonio]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[[(2S,3S)-3-methylpentan-2-yl]azaniumyl]methyl]phenyl]methyl]azanium Traditional Name: [2-[[[(1S,2S)-1,2-dimethylbutyl]ammonio]methyl]benzyl]-dimethyl-ammonium Formula: C16H30N2+2 MolecularWeight: 250.4228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)[NH2+]CC1=CC=CC=C1C[NH+](C)C

Isomeric SMILES

CC[C@H](C)[C@H](C)[NH2+]CC1=CC=CC=C1C[NH+](C)C

InChI

InChI=1S/C16H28N2/c1-6-13(2)14(3)17-11-15-9-7-8-10-16(15)12-18(4)5/h7-10,13-14,17H,6,11-12H2,1-5H3/p+2/t13-,14-/m0/s1