[(2S)-2-(azaniumylmethyl)-3-(4-methylphenyl)propyl]-diethyl-azanium

Systemtic Name: [(2S)-2-(azaniumylmethyl)-3-(4-methylphenyl)propyl]-diethyl-azanium Openeye Name: [(2S)-2-(azaniumylmethyl)-3-(p-tolyl)propyl]-diethyl-ammonium CAS Name: [(2S)-2-(ammoniomethyl)-3-(4-methylphenyl)propyl]-diethylammonium IUPAC Name: [(2S)-2-(azaniumylmethyl)-3-(4-methylphenyl)propyl]-diethylazanium Traditional Name: [(2S)-2-(ammoniomethyl)-3-(p-tolyl)propyl]-diethyl-ammonium Formula: C15H28N2+2 MolecularWeight: 236.39622

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(CC1=CC=C(C=C1)C)C[NH3+]

Isomeric SMILES

CC[NH+](CC)C[C@@H](CC1=CC=C(C=C1)C)C[NH3+]

InChI

InChI=1S/C15H26N2/c1-4-17(5-2)12-15(11-16)10-14-8-6-13(3)7-9-14/h6-9,15H,4-5,10-12,16H2,1-3H3/p+2/t15-/m0/s1