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

Systemtic Name: [(2S)-3-azaniumyl-2-oxidanyl-propyl]-methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [(2S)-3-azaniumyl-2-hydroxy-propyl]-methyl-(p-tolylmethyl)ammonium CAS Name: [(2S)-3-ammonio-2-hydroxypropyl]-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [(2S)-3-azaniumyl-2-hydroxypropyl]-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [(2S)-3-ammonio-2-hydroxy-propyl]-methyl-(4-methylbenzyl)ammonium Formula: C12H22N2O+2 MolecularWeight: 210.31588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2O/c1-10-3-5-11(6-4-10)8-14(2)9-12(15)7-13/h3-6,12,15H,7-9,13H2,1-2H3/p+2/t12-/m0/s1