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

Systemtic Name: (E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(5-nitrofuran-2-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(5-nitro-2-furyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-(5-nitro-2-furanyl)-2-propen-1-one IUPAC Name: (E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(5-nitrofuran-2-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-nitro-2-furyl)-1-(4-p-anisylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C19H22N3O5+ MolecularWeight: 372.39508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c1-26-16-4-2-15(3-5-16)14-20-10-12-21(13-11-20)18(23)8-6-17-7-9-19(27-17)22(24)25/h2-9H,10-14H2,1H3/p+1/b8-6+