diethyl-[(1S)-2-[[(2S,3S)-3-methylpentan-2-yl]azaniumyl]-1-phenyl-ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N2/c1-6-15(4)16(5)19-14-18(20(7-2)8-3)17-12-10-9-11-13-17/h9-13,15-16,18-19H,6-8,14H2,1-5H3/p+2/t15-,16-,18+/m0/s1