1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione

Systemtic Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione Openeye Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione CAS Name: 1-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione IUPAC Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione Traditional Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-urazole Formula: C20H24N5O3+ MolecularWeight: 382.43626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=O)N(C(=O)N3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=O)N(C(=O)N3)C4=CC=CC=C4

InChI

InChI=1S/C20H23N5O3/c1-28-18-9-7-16(8-10-18)23-13-11-22(12-14-23)15-24-20(27)25(19(26)21-24)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,26)/p+1