(2-chloranyl-5-nitro-phenyl)methyl-methyl-[3-[(2-methyl-4-oxidanylidene-pentan-2-yl)amino]-3-oxidanylidene-propyl]azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-methyl-[3-[(2-methyl-4-oxidanylidene-pentan-2-yl)amino]-3-oxidanylidene-propyl]azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-[3-[(1,1-dimethyl-3-oxo-butyl)amino]-3-oxo-propyl]-methyl-ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-methyl-[3-[(2-methyl-4-oxopentan-2-yl)amino]-3-oxopropyl]ammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-methyl-[3-[(2-methyl-4-oxopentan-2-yl)amino]-3-oxopropyl]azanium Traditional Name: (2-chloro-5-nitro-benzyl)-[3-keto-3-[(3-keto-1,1-dimethyl-butyl)amino]propyl]-methyl-ammonium Formula: C17H25ClN3O4+ MolecularWeight: 370.8511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClN3O4/c1-12(22)10-17(2,3)19-16(23)7-8-20(4)11-13-9-14(21(24)25)5-6-15(13)18/h5-6,9H,7-8,10-11H2,1-4H3,(H,19,23)/p+1