methyl-[(4-nitrophenyl)methyl]-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium

Systemtic Name: methyl-[(4-nitrophenyl)methyl]-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: [2-(isopropylamino)-2-oxo-ethyl]-methyl-[(4-nitrophenyl)methyl]ammonium CAS Name: methyl-[(4-nitrophenyl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: methyl-[(4-nitrophenyl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: [2-(isopropylamino)-2-keto-ethyl]-methyl-(4-nitrobenzyl)ammonium Formula: C13H20N3O3+ MolecularWeight: 266.3162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+](C)CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C[NH+](C)CC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O3/c1-10(2)14-13(17)9-15(3)8-11-4-6-12(7-5-11)16(18)19/h4-7,10H,8-9H2,1-3H3,(H,14,17)/p+1