dimethyl-[[2-[[[(3S,5S)-5-methylheptan-3-yl]azaniumyl]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[[(3S,5S)-5-methylheptan-3-yl]azaniumyl]methyl]phenyl]methyl]azanium Openeye Name: [2-[[[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonio]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: dimethyl-[[2-[[[(3S,5S)-5-methylheptan-3-yl]ammonio]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[[(3S,5S)-5-methylheptan-3-yl]azaniumyl]methyl]phenyl]methyl]azanium Traditional Name: [2-[[[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonio]methyl]benzyl]-dimethyl-ammonium Formula: C18H34N2+2 MolecularWeight: 278.47596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N2/c1-6-15(3)12-18(7-2)19-13-16-10-8-9-11-17(16)14-20(4)5/h8-11,15,18-19H,6-7,12-14H2,1-5H3/p+2/t15-,18-/m0/s1