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

Systemtic Name: (E)-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-(5-nitrofuran-2-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-3-(5-nitro-2-furyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-(5-nitro-2-furanyl)-2-propen-1-one IUPAC Name: (E)-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-(5-nitrofuran-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(3-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=C1)C[NH+]2CCN(CC2)C(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4/c1-15-3-2-4-16(13-15)14-20-9-11-21(12-10-20)18(23)7-5-17-6-8-19(26-17)22(24)25/h2-8,13H,9-12,14H2,1H3/p+1/b7-5+