dimethyl-[(2S)-2-[[(2S)-octan-2-yl]azaniumyl]-2-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(2S)-2-[[(2S)-octan-2-yl]azaniumyl]-2-phenyl-ethyl]azanium Openeye Name: dimethyl-[(2S)-2-[[(1S)-1-methylheptyl]ammonio]-2-phenyl-ethyl]ammonium CAS Name: dimethyl-[(2S)-2-[[(2S)-octan-2-yl]ammonio]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-[[(2S)-octan-2-yl]azaniumyl]-2-phenylethyl]azanium Traditional Name: dimethyl-[(2S)-2-[[(1S)-1-methylheptyl]ammonio]-2-phenyl-ethyl]ammonium Formula: C18H34N2+2 MolecularWeight: 278.47596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N2/c1-5-6-7-9-12-16(2)19-18(15-20(3)4)17-13-10-8-11-14-17/h8,10-11,13-14,16,18-19H,5-7,9,12,15H2,1-4H3/p+2/t16-,18+/m0/s1