1-(4-methoxyphenyl)-4-[4-(3-methyl-4-oxidanidyl-1,5-dihydro-1,2,4-triazol-4-ium-4-yl)phenyl]piperazine

Systemtic Name: 1-(4-methoxyphenyl)-4-[4-(3-methyl-4-oxidanidyl-1,5-dihydro-1,2,4-triazol-4-ium-4-yl)phenyl]piperazine Openeye Name: 1-(4-methoxyphenyl)-4-[4-(3-methyl-4-oxido-1,5-dihydro-1,2,4-triazol-4-ium-4-yl)phenyl]piperazine CAS Name: 1-(4-methoxyphenyl)-4-[4-(3-methyl-4-oxido-1,5-dihydro-1,2,4-triazol-4-ium-4-yl)phenyl]piperazine IUPAC Name: 1-(4-methoxyphenyl)-4-[4-(3-methyl-4-oxido-1,5-dihydro-1,2,4-triazol-4-ium-4-yl)phenyl]piperazine Traditional Name: 1-(4-methoxyphenyl)-4-[4-(3-methyl-4-oxido-1,5-dihydro-1,2,4-triazol-4-ium-4-yl)phenyl]piperazine Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC[N+]1(C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC)[O-]

Isomeric SMILES

CC1=NNC[N+]1(C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC)[O-]

InChI

InChI=1S/C20H25N5O2/c1-16-22-21-15-25(16,26)19-7-3-17(4-8-19)23-11-13-24(14-12-23)18-5-9-20(27-2)10-6-18/h3-10,21H,11-15H2,1-2H3