[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-(4-nitrophenyl)methanone IUPAC Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Formula: C13H18N3O4+ MolecularWeight: 280.29972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4/c17-10-9-14-5-7-15(8-6-14)13(18)11-1-3-12(4-2-11)16(19)20/h1-4,17H,5-10H2/p+1