4-(4-methoxyphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-1H-1,2,4-triazol-4-ium-5-one

Systemtic Name: 4-(4-methoxyphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-1H-1,2,4-triazol-4-ium-5-one Openeye Name: 4-(4-methoxyphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-1H-1,2,4-triazol-4-ium-5-one CAS Name: 4-(4-methoxyphenyl)-3-methyl-4-[4-(1-piperazinyl)phenyl]-1H-1,2,4-triazol-4-ium-5-one IUPAC Name: 4-(4-methoxyphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-1H-1,2,4-triazol-4-ium-5-one Traditional Name: 4-(4-methoxyphenyl)-3-methyl-4-(4-piperazinophenyl)-1H-1,2,4-triazol-4-ium-5-one Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)[N+]1(C2=CC=C(C=C2)N3CCNCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NNC(=O)[N+]1(C2=CC=C(C=C2)N3CCNCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H23N5O2/c1-15-22-23-20(26)25(15,18-7-9-19(27-2)10-8-18)17-5-3-16(4-6-17)24-13-11-21-12-14-24/h3-10,21H,11-14H2,1-2H3/p+1