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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-[(4-nitrophenyl)methyl]azanium Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl]-methyl-[(4-nitrophenyl)methyl]ammonium CAS Name: [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(4-nitrophenyl)methyl]ammonium IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(4-nitrophenyl)methyl]azanium Traditional Name: [2-(cyclopropylamino)-2-keto-ethyl]-methyl-(4-nitrobenzyl)ammonium Formula: C13H18N3O3+ MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)[N+](=O)[O-])CC(=O)NC2CC2

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)[N+](=O)[O-])CC(=O)NC2CC2

InChI

InChI=1S/C13H17N3O3/c1-15(9-13(17)14-11-4-5-11)8-10-2-6-12(7-3-10)16(18)19/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,14,17)/p+1