[(1S)-2-azaniumyl-1-(3-methylphenyl)ethyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-methylphenyl)ethyl]-methyl-propan-2-yl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(m-tolyl)ethyl]-isopropyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-methylphenyl)ethyl]-methyl-propan-2-ylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-methylphenyl)ethyl]-methyl-propan-2-ylazanium Traditional Name: [(1S)-2-ammonio-1-(m-tolyl)ethyl]-isopropyl-methyl-ammonium Formula: C13H24N2+2 MolecularWeight: 208.34306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2/c1-10(2)15(4)13(9-14)12-7-5-6-11(3)8-12/h5-8,10,13H,9,14H2,1-4H3/p+2/t13-/m1/s1