methyl-[(2S)-3-(methylazaniumyl)-2-oxidanyl-propyl]-[(4-methylphenyl)methyl]azanium

Systemtic Name: methyl-[(2S)-3-(methylazaniumyl)-2-oxidanyl-propyl]-[(4-methylphenyl)methyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(methylammonio)propyl]-methyl-(p-tolylmethyl)ammonium CAS Name: [(2S)-2-hydroxy-3-(methylammonio)propyl]-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-(methylazaniumyl)propyl]-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(methylammonio)propyl]-methyl-(4-methylbenzyl)ammonium Formula: C13H24N2O+2 MolecularWeight: 224.34246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](C)CC(C[NH2+]C)O

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](C)C[C@H](C[NH2+]C)O

InChI

InChI=1S/C13H22N2O/c1-11-4-6-12(7-5-11)9-15(3)10-13(16)8-14-2/h4-7,13-14,16H,8-10H2,1-3H3/p+2/t13-/m0/s1