diethyl-[(1S)-2-[[(2R)-4-methylpentan-2-yl]azaniumyl]-1-phenyl-ethyl]azanium

Systemtic Name: diethyl-[(1S)-2-[[(2R)-4-methylpentan-2-yl]azaniumyl]-1-phenyl-ethyl]azanium Openeye Name: [(1S)-2-[[(1R)-1,3-dimethylbutyl]ammonio]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: diethyl-[(1S)-2-[[(2R)-4-methylpentan-2-yl]ammonio]-1-phenylethyl]ammonium IUPAC Name: diethyl-[(1S)-2-[[(2R)-4-methylpentan-2-yl]azaniumyl]-1-phenylethyl]azanium Traditional Name: [(1S)-2-[[(1R)-1,3-dimethylbutyl]ammonio]-1-phenyl-ethyl]-diethyl-ammonium Formula: C18H34N2+2 MolecularWeight: 278.47596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N2/c1-6-20(7-2)18(17-11-9-8-10-12-17)14-19-16(5)13-15(3)4/h8-12,15-16,18-19H,6-7,13-14H2,1-5H3/p+2/t16-,18-/m1/s1