3-(5-nitrofuran-2-yl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: 3-(5-nitrofuran-2-yl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(5-nitro-2-furyl)prop-2-en-1-one CAS Name: 3-(5-nitro-2-furanyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(5-nitro-2-furyl)prop-2-en-1-one Formula: C18H20N3O4+ MolecularWeight: 342.3691

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4/c22-17(8-6-16-7-9-18(25-16)21(23)24)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14H2/p+1