4-[1-(3-chlorophenyl)-1-piperazin-1-yl-propyl]-3-ethanoyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-4-ium-5-one

Systemtic Name: 4-[1-(3-chlorophenyl)-1-piperazin-1-yl-propyl]-3-ethanoyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-4-ium-5-one Openeye Name: 3-acetyl-4-[1-(3-chlorophenyl)-1-piperazin-1-yl-propyl]-4-(2-phenoxyethyl)-1H-1,2,4-triazol-4-ium-5-one CAS Name: 3-acetyl-4-[1-(3-chlorophenyl)-1-(1-piperazinyl)propyl]-4-(2-phenoxyethyl)-1H-1,2,4-triazol-4-ium-5-one IUPAC Name: 3-acetyl-4-[1-(3-chlorophenyl)-1-piperazin-1-ylpropyl]-4-(2-phenoxyethyl)-1H-1,2,4-triazol-4-ium-5-one Traditional Name: 3-acetyl-4-[1-(3-chlorophenyl)-1-piperazino-propyl]-4-(2-phenoxyethyl)-1H-1,2,4-triazol-4-ium-5-one Formula: C25H31ClN5O3+ MolecularWeight: 484.99834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)Cl)(N2CCNCC2)[N+]3(C(=NNC3=O)C(=O)C)CCOC4=CC=CC=C4

Isomeric SMILES

CCC(C1=CC(=CC=C1)Cl)(N2CCNCC2)[N+]3(C(=NNC3=O)C(=O)C)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H30ClN5O3/c1-3-25(30-14-12-27-13-15-30,20-8-7-9-21(26)18-20)31(23(19(2)32)28-29-24(31)33)16-17-34-22-10-5-4-6-11-22/h4-11,18,27H,3,12-17H2,1-2H3/p+1