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

Systemtic Name: [(3R)-4-methyl-3-phenyl-piperazin-4-ium-1-yl]-[1-(naphthalen-1-ylmethyl)-1,2,3-triazol-4-yl]methanone Openeye Name: [(3R)-4-methyl-3-phenyl-piperazin-4-ium-1-yl]-[1-(1-naphthylmethyl)triazol-4-yl]methanone CAS Name: [(3R)-4-methyl-3-phenyl-1-piperazin-4-iumyl]-[1-(1-naphthalenylmethyl)-4-triazolyl]methanone IUPAC Name: [(3R)-4-methyl-3-phenylpiperazin-4-ium-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone Traditional Name: [(3R)-4-methyl-3-phenyl-piperazin-4-ium-1-yl]-[1-(1-naphthylmethyl)triazol-4-yl]methanone Formula: C25H26N5O+ MolecularWeight: 412.50684

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1C2=CC=CC=C2)C(=O)C3=CN(N=N3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C[NH+]1CCN(C[C@H]1C2=CC=CC=C2)C(=O)C3=CN(N=N3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H25N5O/c1-28-14-15-29(18-24(28)20-9-3-2-4-10-20)25(31)23-17-30(27-26-23)16-21-12-7-11-19-8-5-6-13-22(19)21/h2-13,17,24H,14-16,18H2,1H3/p+1/t24-/m0/s1