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

Systemtic Name: (E)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-(5-nitrofuran-2-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-3-(5-nitro-2-furyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-3-(5-nitro-2-furanyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-(5-nitrofuran-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-3-(5-nitro-2-furyl)prop-2-en-1-one Formula: C22H22N3O4+ MolecularWeight: 392.42778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)C=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)/C=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O4/c26-21(10-8-19-9-11-22(29-19)25(27)28)24-14-12-23(13-15-24)16-18-6-3-5-17-4-1-2-7-20(17)18/h1-11H,12-16H2/p+1/b10-8+