(2S)-2-methyl-1-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]-4-phenyl-piperazin-1-ium

Systemtic Name: (2S)-2-methyl-1-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]-4-phenyl-piperazin-1-ium Openeye Name: (2S)-2-methyl-1-[[5-(1-naphthyl)-1H-pyrazol-4-yl]methyl]-4-phenyl-piperazin-1-ium CAS Name: (2S)-2-methyl-1-[[5-(1-naphthalenyl)-1H-pyrazol-4-yl]methyl]-4-phenylpiperazin-1-ium IUPAC Name: (2S)-2-methyl-1-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]-4-phenylpiperazin-1-ium Traditional Name: (2S)-2-methyl-1-[[5-(1-naphthyl)-1H-pyrazol-4-yl]methyl]-4-phenyl-piperazin-1-ium Formula: C25H27N4+ MolecularWeight: 383.50868

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C[C@H]1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H26N4/c1-19-17-29(22-10-3-2-4-11-22)15-14-28(19)18-21-16-26-27-25(21)24-13-7-9-20-8-5-6-12-23(20)24/h2-13,16,19H,14-15,17-18H2,1H3,(H,26,27)/p+1/t19-/m0/s1