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[1-(1H-imidazol-3-ium-5-yl)-3-oxidanyl-propan-2-yl]-(phenylmethyl)azanium

[1-(1H-imidazol-3-ium-5-yl)-3-oxidanyl-propan-2-yl]-(phenylmethyl)azanium

Systemtic Name:[1-(1H-imidazol-3-ium-5-yl)-3-oxidanyl-propan-2-yl]-(phenylmethyl)azanium
Openeye Name:benzyl-[1-(hydroxymethyl)-2-(1H-imidazol-3-ium-5-yl)ethyl]ammonium
CAS Name:[1-hydroxy-3-(1H-imidazol-3-ium-5-yl)propan-2-yl]-(phenylmethyl)ammonium
IUPAC Name:benzyl-[1-hydroxy-3-(1H-imidazol-3-ium-5-yl)propan-2-yl]azanium
Traditional Name:benzyl-[2-hydroxy-1-(1H-imidazol-3-ium-5-ylmethyl)ethyl]ammonium
Formula: C13H19N3O+2
MolecularWeight: 233.30946
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C(CC2=C[NH+]=CN2)CO


Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]C(CC2=C[NH+]=CN2)CO


InChI

InChI=1S/C13H17N3O/c17-9-13(6-12-8-14-10-16-12)15-7-11-4-2-1-3-5-11/h1-5,8,10,13,15,17H,6-7,9H2,(H,14,16)/p+2


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