[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-pentyl-propan-2-yl-azanium

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-pentyl-propan-2-yl-azanium Openeye Name: isopropyl-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]-pentyl-ammonium CAS Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl]-pentyl-propan-2-ylammonium IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl]-pentyl-propan-2-ylazanium Traditional Name: amyl-isopropyl-[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]ammonium Formula: C17H28N3O3+ MolecularWeight: 322.42252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+](CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)C(C)C

Isomeric SMILES

CCCCC[NH+](CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)C(C)C

InChI

InChI=1S/C17H27N3O3/c1-5-6-7-10-19(13(2)3)12-17(21)18-16-11-15(20(22)23)9-8-14(16)4/h8-9,11,13H,5-7,10,12H2,1-4H3,(H,18,21)/p+1