diethyl-[(1S)-2-[[(2R)-5-methylhexan-2-yl]azaniumyl]-1-phenyl-ethyl]azanium

Systemtic Name: diethyl-[(1S)-2-[[(2R)-5-methylhexan-2-yl]azaniumyl]-1-phenyl-ethyl]azanium Openeye Name: [(1S)-2-[[(1R)-1,4-dimethylpentyl]ammonio]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: diethyl-[(1S)-2-[[(2R)-5-methylhexan-2-yl]ammonio]-1-phenylethyl]ammonium IUPAC Name: diethyl-[(1S)-2-[[(2R)-5-methylhexan-2-yl]azaniumyl]-1-phenylethyl]azanium Traditional Name: [(1S)-2-[[(1R)-1,4-dimethylpentyl]ammonio]-1-phenyl-ethyl]-diethyl-ammonium Formula: C19H36N2+2 MolecularWeight: 292.50254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H34N2/c1-6-21(7-2)19(18-11-9-8-10-12-18)15-20-17(5)14-13-16(3)4/h8-12,16-17,19-20H,6-7,13-15H2,1-5H3/p+2/t17-,19-/m1/s1