[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-[1-(phenylmethyl)-1,2,3-triazol-4-yl]methanone

Systemtic Name: [(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-[1-(phenylmethyl)-1,2,3-triazol-4-yl]methanone Openeye Name: (1-benzyltriazol-4-yl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone CAS Name: [(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-[1-(phenylmethyl)-4-triazolyl]methanone IUPAC Name: (1-benzyltriazol-4-yl)-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]methanone Traditional Name: (1-benzyltriazol-4-yl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=O)C3=CN(N=N3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN([C@@H](C1)C2=CC=CC=C2)C(=O)C3=CN(N=N3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O/c1-24-12-13-26(20(16-24)18-10-6-3-7-11-18)21(27)19-15-25(23-22-19)14-17-8-4-2-5-9-17/h2-11,15,20H,12-14,16H2,1H3/p+1/t20-/m0/s1