1-(4-chloranyl-2-nitro-phenyl)-4-[(2-methyl-5-phenyl-furan-3-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-chloranyl-2-nitro-phenyl)-4-[(2-methyl-5-phenyl-furan-3-yl)methyl]piperazin-4-ium Openeye Name: 1-(4-chloro-2-nitro-phenyl)-4-[(2-methyl-5-phenyl-3-furyl)methyl]piperazin-4-ium CAS Name: 1-(4-chloro-2-nitrophenyl)-4-[(2-methyl-5-phenyl-3-furanyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-chloro-2-nitrophenyl)-4-[(2-methyl-5-phenylfuran-3-yl)methyl]piperazin-4-ium Traditional Name: 1-(4-chloro-2-nitro-phenyl)-4-[(2-methyl-5-phenyl-3-furyl)methyl]piperazin-4-ium Formula: C22H23ClN3O3+ MolecularWeight: 412.88932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C2=CC=CC=C2)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(O1)C2=CC=CC=C2)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H22ClN3O3/c1-16-18(13-22(29-16)17-5-3-2-4-6-17)15-24-9-11-25(12-10-24)20-8-7-19(23)14-21(20)26(27)28/h2-8,13-14H,9-12,15H2,1H3/p+1