[(2S)-2-(hexylazaniumyl)-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-(hexylazaniumyl)-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-(hexylammonio)-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-(hexylammonio)-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-(hexylazaniumyl)-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-(hexylammonio)-2-phenyl-ethyl]-dimethyl-ammonium Formula: C16H30N2+2 MolecularWeight: 250.4228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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