(E)-3-(3-nitrophenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one

Systemtic Name: (E)-3-(3-nitrophenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one Openeye Name: (E)-3-(3-nitrophenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one CAS Name: (E)-3-(3-nitrophenyl)-1-(1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(3-nitrophenyl)-1-piperazin-4-ium-1-ylprop-2-en-1-one Traditional Name: (E)-3-(3-nitrophenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one Formula: C13H16N3O3+ MolecularWeight: 262.28444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3/c17-13(15-8-6-14-7-9-15)5-4-11-2-1-3-12(10-11)16(18)19/h1-5,10,14H,6-9H2/p+1/b5-4+