(4-methylphenyl)methyl-[2-[[(2S)-2-oxidanylpropyl]azaniumyl]ethyl]azanium

Systemtic Name: (4-methylphenyl)methyl-[2-[[(2S)-2-oxidanylpropyl]azaniumyl]ethyl]azanium Openeye Name: [(2S)-2-hydroxypropyl]-[2-(p-tolylmethylammonio)ethyl]ammonium CAS Name: [(2S)-2-hydroxypropyl]-[2-[(4-methylphenyl)methylammonio]ethyl]ammonium IUPAC Name: [(2S)-2-hydroxypropyl]-[2-[(4-methylphenyl)methylazaniumyl]ethyl]azanium Traditional Name: [(2S)-2-hydroxypropyl]-[2-[(4-methylbenzyl)ammonio]ethyl]ammonium Formula: C13H24N2O+2 MolecularWeight: 224.34246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O/c1-11-3-5-13(6-4-11)10-15-8-7-14-9-12(2)16/h3-6,12,14-16H,7-10H2,1-2H3/p+2/t12-/m0/s1