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

Systemtic Name: [3-[3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)propanoylamino]phenyl]methylazanium Openeye Name: [3-[3-(2-isopropyl-1H-imidazol-3-ium-3-yl)propanoylamino]phenyl]methylammonium CAS Name: [3-[[1-oxo-3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)propyl]amino]phenyl]methylammonium IUPAC Name: [3-[3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)propanoylamino]phenyl]methylazanium Traditional Name: [3-[3-(2-isopropyl-1H-imidazol-3-ium-3-yl)propanoylamino]benzyl]ammonium Formula: C16H24N4O+2 MolecularWeight: 288.38796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C=CN1)CCC(=O)NC2=CC=CC(=C2)C[NH3+]

Isomeric SMILES

CC(C)C1=[N+](C=CN1)CCC(=O)NC2=CC=CC(=C2)C[NH3+]

InChI

InChI=1S/C16H22N4O/c1-12(2)16-18-7-9-20(16)8-6-15(21)19-14-5-3-4-13(10-14)11-17/h3-5,7,9-10,12H,6,8,11,17H2,1-2H3,(H,19,21)/p+2