[4-[[[(2S)-butan-2-yl]azaniumyl]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[[(2S)-butan-2-yl]azaniumyl]methyl]phenyl]methyl-diethyl-azanium Openeye Name: diethyl-[[4-[[[(1S)-1-methylpropyl]ammonio]methyl]phenyl]methyl]ammonium CAS Name: [4-[[[(2S)-butan-2-yl]ammonio]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[[(2S)-butan-2-yl]azaniumyl]methyl]phenyl]methyl-diethylazanium Traditional Name: diethyl-[4-[[[(1S)-1-methylpropyl]ammonio]methyl]benzyl]ammonium Formula: C16H30N2+2 MolecularWeight: 250.4228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC1=CC=C(C=C1)C[NH+](CC)CC

Isomeric SMILES

CC[C@H](C)[NH2+]CC1=CC=C(C=C1)C[NH+](CC)CC

InChI

InChI=1S/C16H28N2/c1-5-14(4)17-12-15-8-10-16(11-9-15)13-18(6-2)7-3/h8-11,14,17H,5-7,12-13H2,1-4H3/p+2/t14-/m0/s1