[(2R)-3-ethyl-1-[(3-nitrophenyl)carbamoylamino]pentan-2-yl]-dimethyl-azanium

Systemtic Name: [(2R)-3-ethyl-1-[(3-nitrophenyl)carbamoylamino]pentan-2-yl]-dimethyl-azanium Openeye Name: [(1R)-2-ethyl-1-[[(3-nitrophenyl)carbamoylamino]methyl]butyl]-dimethyl-ammonium CAS Name: [(2R)-3-ethyl-1-[[(3-nitroanilino)-oxomethyl]amino]pentan-2-yl]-dimethylammonium IUPAC Name: [(2R)-3-ethyl-1-[(3-nitrophenyl)carbamoylamino]pentan-2-yl]-dimethylazanium Traditional Name: [(1R)-2-ethyl-1-[[(3-nitrophenyl)carbamoylamino]methyl]butyl]-dimethyl-ammonium Formula: C16H27N4O3+ MolecularWeight: 323.41058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(CC)[C@H](CNC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])[NH+](C)C

InChI

InChI=1S/C16H26N4O3/c1-5-12(6-2)15(19(3)4)11-17-16(21)18-13-8-7-9-14(10-13)20(22)23/h7-10,12,15H,5-6,11H2,1-4H3,(H2,17,18,21)/p+1/t15-/m0/s1