[(2S)-2-(azaniumylmethyl)-3-(4-tert-butylphenyl)propyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-(azaniumylmethyl)-3-(4-tert-butylphenyl)propyl]-dimethyl-azanium Openeye Name: [(2S)-2-(azaniumylmethyl)-3-(4-tert-butylphenyl)propyl]-dimethyl-ammonium CAS Name: [(2S)-2-(ammoniomethyl)-3-(4-tert-butylphenyl)propyl]-dimethylammonium IUPAC Name: [(2S)-2-(azaniumylmethyl)-3-(4-tert-butylphenyl)propyl]-dimethylazanium Traditional Name: [(2S)-2-(ammoniomethyl)-3-(4-tert-butylphenyl)propyl]-dimethyl-ammonium Formula: C16H30N2+2 MolecularWeight: 250.4228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC(C[NH3+])C[NH+](C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[C@@H](C[NH3+])C[NH+](C)C

InChI

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