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

Systemtic Name: (E)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-(5-nitrofuran-2-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-nitro-2-furyl)-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-(5-nitro-2-furanyl)-2-propen-1-one IUPAC Name: (E)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-(5-nitrofuran-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]-3-(5-nitro-2-furyl)prop-2-en-1-one Formula: C19H22N3O4+ MolecularWeight: 356.39568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4/c1-15-4-2-3-5-16(15)14-20-10-12-21(13-11-20)18(23)8-6-17-7-9-19(26-17)22(24)25/h2-9H,10-14H2,1H3/p+1/b8-6+