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

Systemtic Name: [(2S)-2-(azaniumylmethyl)-3-(3-methylphenyl)propyl]-dimethyl-azanium Openeye Name: [(2S)-2-(azaniumylmethyl)-3-(m-tolyl)propyl]-dimethyl-ammonium CAS Name: [(2S)-2-(ammoniomethyl)-3-(3-methylphenyl)propyl]-dimethylammonium IUPAC Name: [(2S)-2-(azaniumylmethyl)-3-(3-methylphenyl)propyl]-dimethylazanium Traditional Name: [(2S)-2-(ammoniomethyl)-3-(m-tolyl)propyl]-dimethyl-ammonium Formula: C13H24N2+2 MolecularWeight: 208.34306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2/c1-11-5-4-6-12(7-11)8-13(9-14)10-15(2)3/h4-7,13H,8-10,14H2,1-3H3/p+2/t13-/m0/s1