4-(3-chlorophenyl)-5-ethyl-4-(2-phenoxyethyl)-2-(1-piperazin-1-ylpropyl)-1,2,4-triazol-4-ium-3-one

Systemtic Name: 4-(3-chlorophenyl)-5-ethyl-4-(2-phenoxyethyl)-2-(1-piperazin-1-ylpropyl)-1,2,4-triazol-4-ium-3-one Openeye Name: 4-(3-chlorophenyl)-5-ethyl-4-(2-phenoxyethyl)-2-(1-piperazin-1-ylpropyl)-1,2,4-triazol-4-ium-3-one CAS Name: 4-(3-chlorophenyl)-5-ethyl-4-(2-phenoxyethyl)-2-[1-(1-piperazinyl)propyl]-1,2,4-triazol-4-ium-3-one IUPAC Name: 4-(3-chlorophenyl)-5-ethyl-4-(2-phenoxyethyl)-2-(1-piperazin-1-ylpropyl)-1,2,4-triazol-4-ium-3-one Traditional Name: 4-(3-chlorophenyl)-5-ethyl-4-(2-phenoxyethyl)-2-(1-piperazinopropyl)-1,2,4-triazol-4-ium-3-one Formula: C25H33ClN5O2+ MolecularWeight: 471.01482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)[N+]1(CCOC2=CC=CC=C2)C3=CC(=CC=C3)Cl)C(CC)N4CCNCC4

Isomeric SMILES

CCC1=NN(C(=O)[N+]1(CCOC2=CC=CC=C2)C3=CC(=CC=C3)Cl)C(CC)N4CCNCC4

InChI

InChI=1S/C25H33ClN5O2/c1-3-23-28-30(24(4-2)29-15-13-27-14-16-29)25(32)31(23,21-10-8-9-20(26)19-21)17-18-33-22-11-6-5-7-12-22/h5-12,19,24,27H,3-4,13-18H2,1-2H3/q+1