[4-[2-(2-methyl-1H-imidazol-3-ium-3-yl)ethanoylamino]phenyl]methylazanium

Systemtic Name: [4-[2-(2-methyl-1H-imidazol-3-ium-3-yl)ethanoylamino]phenyl]methylazanium Openeye Name: [4-[[2-(2-methyl-1H-imidazol-3-ium-3-yl)acetyl]amino]phenyl]methylammonium CAS Name: [4-[[2-(2-methyl-1H-imidazol-3-ium-3-yl)-1-oxoethyl]amino]phenyl]methylammonium IUPAC Name: [4-[[2-(2-methyl-1H-imidazol-3-ium-3-yl)acetyl]amino]phenyl]methylazanium Traditional Name: [4-[[2-(2-methyl-1H-imidazol-3-ium-3-yl)acetyl]amino]benzyl]ammonium Formula: C13H18N4O+2 MolecularWeight: 246.30822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1)CC(=O)NC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

CC1=[N+](C=CN1)CC(=O)NC2=CC=C(C=C2)C[NH3+]

InChI

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