(1,5-diphenyl-1,2,4-triazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (1,5-diphenyl-1,2,4-triazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (1,5-diphenyl-1,2,4-triazol-3-yl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (1,5-diphenyl-1,2,4-triazol-3-yl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (1,5-diphenyl-1,2,4-triazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (1,5-diphenyl-1,2,4-triazol-3-yl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C24H24N5OS+ MolecularWeight: 430.54526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H23N5OS/c30-24(28-14-12-27(13-15-28)17-19-11-16-31-18-19)22-25-23(20-7-3-1-4-8-20)29(26-22)21-9-5-2-6-10-21/h1-11,16,18H,12-15,17H2/p+1