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

Systemtic Name: (E)-3-(5-nitrofuran-2-yl)-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-1-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-3-(5-nitro-2-furyl)prop-2-en-1-one CAS Name: (E)-3-(5-nitro-2-furanyl)-1-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(5-nitrofuran-2-yl)-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-1-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-3-(5-nitro-2-furyl)prop-2-en-1-one Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-16(2)18-5-3-17(4-6-18)15-22-11-13-23(14-12-22)20(25)9-7-19-8-10-21(28-19)24(26)27/h3-10,16H,11-15H2,1-2H3/p+1/b9-7+