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

Systemtic Name: dimethyl-[(2S)-2-[[(2S)-2-methylpentyl]azaniumyl]-2-phenyl-ethyl]azanium Openeye Name: dimethyl-[(2S)-2-[[(2S)-2-methylpentyl]ammonio]-2-phenyl-ethyl]ammonium CAS Name: dimethyl-[(2S)-2-[[(2S)-2-methylpentyl]ammonio]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-[[(2S)-2-methylpentyl]azaniumyl]-2-phenylethyl]azanium Traditional Name: dimethyl-[(2S)-2-[[(2S)-2-methylpentyl]ammonio]-2-phenyl-ethyl]ammonium Formula: C16H30N2+2 MolecularWeight: 250.4228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2/c1-5-9-14(2)12-17-16(13-18(3)4)15-10-7-6-8-11-15/h6-8,10-11,14,16-17H,5,9,12-13H2,1-4H3/p+2/t14-,16+/m0/s1