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

Systemtic Name: [3-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propanoylamino]phenyl]methylazanium Openeye Name: [3-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propanoylamino]phenyl]methylammonium CAS Name: [3-[[3-(2-methyl-1H-imidazol-3-ium-3-yl)-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [3-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propanoylamino]phenyl]methylazanium Traditional Name: [3-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propanoylamino]benzyl]ammonium Formula: C14H20N4O+2 MolecularWeight: 260.3348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O/c1-11-16-6-8-18(11)7-5-14(19)17-13-4-2-3-12(9-13)10-15/h2-4,6,8-9H,5,7,10,15H2,1H3,(H,17,19)/p+2