diethyl-[(1S)-2-(2-methylpropylazaniumyl)-1-phenyl-ethyl]azanium

Systemtic Name: diethyl-[(1S)-2-(2-methylpropylazaniumyl)-1-phenyl-ethyl]azanium Openeye Name: diethyl-[(1S)-2-(isobutylammonio)-1-phenyl-ethyl]ammonium CAS Name: diethyl-[(1S)-2-(2-methylpropylammonio)-1-phenylethyl]ammonium IUPAC Name: diethyl-[(1S)-2-(2-methylpropylazaniumyl)-1-phenylethyl]azanium Traditional Name: diethyl-[(1S)-2-(isobutylammonio)-1-phenyl-ethyl]ammonium Formula: C16H30N2+2 MolecularWeight: 250.4228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2/c1-5-18(6-2)16(13-17-12-14(3)4)15-10-8-7-9-11-15/h7-11,14,16-17H,5-6,12-13H2,1-4H3/p+2/t16-/m1/s1