[(2S)-2-(1-methylpyrazol-4-yl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(1-methylpyrazol-4-yl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(1-methylpyrazol-4-yl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(1-methyl-4-pyrazolyl)-2-(4-propyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2S)-2-(1-methylpyrazol-4-yl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(1-methylpyrazol-4-yl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C13H27N5+2 MolecularWeight: 253.38698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25N5/c1-3-4-17-5-7-18(8-6-17)13(9-14)12-10-15-16(2)11-12/h10-11,13H,3-9,14H2,1-2H3/p+2/t13-/m1/s1