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

Systemtic Name: (E)-3-(4-nitrophenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one Openeye Name: (E)-3-(4-nitrophenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one CAS Name: (E)-3-(4-nitrophenyl)-1-(1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(4-nitrophenyl)-1-piperazin-4-ium-1-ylprop-2-en-1-one Traditional Name: (E)-3-(4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3/c17-13(15-9-7-14-8-10-15)6-3-11-1-4-12(5-2-11)16(18)19/h1-6,14H,7-10H2/p+1/b6-3+