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

Systemtic Name: [(2S)-2-[butyl(methyl)amino]-2-(1-phenylpyrazol-4-yl)ethyl]azanium Openeye Name: [(2S)-2-[butyl(methyl)amino]-2-(1-phenylpyrazol-4-yl)ethyl]ammonium CAS Name: [(2S)-2-[butyl(methyl)amino]-2-(1-phenyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: [(2S)-2-[butyl(methyl)amino]-2-(1-phenylpyrazol-4-yl)ethyl]azanium Traditional Name: [(2S)-2-[butyl(methyl)amino]-2-(1-phenylpyrazol-4-yl)ethyl]ammonium Formula: C16H25N4+ MolecularWeight: 273.3965

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(C[NH3+])C1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCN(C)[C@H](C[NH3+])C1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C16H24N4/c1-3-4-10-19(2)16(11-17)14-12-18-20(13-14)15-8-6-5-7-9-15/h5-9,12-13,16H,3-4,10-11,17H2,1-2H3/p+1/t16-/m1/s1