[(1S)-3-azaniumyl-1-(4-ethylphenyl)propyl]-dimethyl-azanium

Systemtic Name: [(1S)-3-azaniumyl-1-(4-ethylphenyl)propyl]-dimethyl-azanium Openeye Name: [(1S)-3-azaniumyl-1-(4-ethylphenyl)propyl]-dimethyl-ammonium CAS Name: [(1S)-3-ammonio-1-(4-ethylphenyl)propyl]-dimethylammonium IUPAC Name: [(1S)-3-azaniumyl-1-(4-ethylphenyl)propyl]-dimethylazanium Traditional Name: [(1S)-3-ammonio-1-(4-ethylphenyl)propyl]-dimethyl-ammonium Formula: C13H24N2+2 MolecularWeight: 208.34306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CC[NH3+])[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CC[NH3+])[NH+](C)C

InChI

InChI=1S/C13H22N2/c1-4-11-5-7-12(8-6-11)13(9-10-14)15(2)3/h5-8,13H,4,9-10,14H2,1-3H3/p+2/t13-/m0/s1