[(3R)-3-methyl-4-nitro-butyl]-(2-oxidanylideneethyl)-(phenylmethyl)azanium

Systemtic Name: [(3R)-3-methyl-4-nitro-butyl]-(2-oxidanylideneethyl)-(phenylmethyl)azanium Openeye Name: benzyl-[(3R)-3-methyl-4-nitro-butyl]-(2-oxoethyl)ammonium CAS Name: [(3R)-3-methyl-4-nitrobutyl]-(2-oxoethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3R)-3-methyl-4-nitrobutyl]-(2-oxoethyl)azanium Traditional Name: benzyl-(2-ketoethyl)-[(3R)-3-methyl-4-nitro-butyl]ammonium Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3/c1-13(11-16(18)19)7-8-15(9-10-17)12-14-5-3-2-4-6-14/h2-6,10,13H,7-9,11-12H2,1H3/p+1/t13-/m1/s1