[3-[[(2R)-2-(1H-imidazol-3-ium-3-yl)propanoyl]amino]phenyl]methylazanium

Systemtic Name: [3-[[(2R)-2-(1H-imidazol-3-ium-3-yl)propanoyl]amino]phenyl]methylazanium Openeye Name: [3-[[(2R)-2-(1H-imidazol-3-ium-3-yl)propanoyl]amino]phenyl]methylammonium CAS Name: [3-[[(2R)-2-(1H-imidazol-3-ium-3-yl)-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [3-[[(2R)-2-(1H-imidazol-3-ium-3-yl)propanoyl]amino]phenyl]methylazanium Traditional Name: [3-[[(2R)-2-(1H-imidazol-3-ium-3-yl)propanoyl]amino]benzyl]ammonium Formula: C13H18N4O+2 MolecularWeight: 246.30822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C[NH3+])[N+]2=CNC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C[NH3+])[N+]2=CNC=C2

InChI

InChI=1S/C13H16N4O/c1-10(17-6-5-15-9-17)13(18)16-12-4-2-3-11(7-12)8-14/h2-7,9-10H,8,14H2,1H3,(H,16,18)/p+2/t10-/m1/s1