[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(1-phenylpyrazol-4-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(1-phenylpyrazol-4-yl)ethyl]azanium Openeye Name: [(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(1-phenylpyrazol-4-yl)ethyl]ammonium CAS Name: [(2S)-2-(4-methyl-1-piperazin-4-iumyl)-2-(1-phenyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(1-phenylpyrazol-4-yl)ethyl]azanium Traditional Name: [(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(1-phenylpyrazol-4-yl)ethyl]ammonium Formula: C16H25N5+2 MolecularWeight: 287.4032

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C[NH3+])C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](C[NH3+])C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H23N5/c1-19-7-9-20(10-8-19)16(11-17)14-12-18-21(13-14)15-5-3-2-4-6-15/h2-6,12-13,16H,7-11,17H2,1H3/p+2/t16-/m1/s1