4-(2-nitrophenoxy)-1-piperazin-4-ium-1-yl-butan-1-one

Systemtic Name: 4-(2-nitrophenoxy)-1-piperazin-4-ium-1-yl-butan-1-one Openeye Name: 4-(2-nitrophenoxy)-1-piperazin-4-ium-1-yl-butan-1-one CAS Name: 4-(2-nitrophenoxy)-1-(1-piperazin-4-iumyl)-1-butanone IUPAC Name: 4-(2-nitrophenoxy)-1-piperazin-4-ium-1-ylbutan-1-one Traditional Name: 4-(2-nitrophenoxy)-1-piperazin-4-ium-1-yl-butan-1-one Formula: C14H20N3O4+ MolecularWeight: 294.3263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)CCCOC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)CCCOC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4/c18-14(16-9-7-15-8-10-16)6-3-11-21-13-5-2-1-4-12(13)17(19)20/h1-2,4-5,15H,3,6-11H2/p+1