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

Systemtic Name: methyl-[(2S)-3-(methylazaniumyl)-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2S)-2-hydroxy-3-(methylammonio)propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(methylammonio)propyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-2-hydroxy-3-(methylazaniumyl)propyl]-methylazanium Traditional Name: benzyl-[(2S)-2-hydroxy-3-(methylammonio)propyl]-methyl-ammonium Formula: C12H22N2O+2 MolecularWeight: 210.31588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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