[(2S)-2-[butyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)ethyl]azanium

Systemtic Name: [(2S)-2-[butyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)ethyl]azanium Openeye Name: [(2S)-2-[butyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)ethyl]ammonium CAS Name: [(2S)-2-[butyl(ethyl)amino]-2-(1-methyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: [(2S)-2-[butyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)ethyl]azanium Traditional Name: [(2S)-2-[butyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)ethyl]ammonium Formula: C12H25N4+ MolecularWeight: 225.3537

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C(C[NH3+])C1=CN(N=C1)C

Isomeric SMILES

CCCCN(CC)[C@H](C[NH3+])C1=CN(N=C1)C

InChI

InChI=1S/C12H24N4/c1-4-6-7-16(5-2)12(8-13)11-9-14-15(3)10-11/h9-10,12H,4-8,13H2,1-3H3/p+1/t12-/m1/s1