dimethyl-[(2R)-3-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]azanium

Systemtic Name: dimethyl-[(2R)-3-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]azanium Openeye Name: dimethyl-[(1R)-2-methyl-1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]propyl]ammonium CAS Name: dimethyl-[(2R)-3-methyl-1-[(1-phenyl-4-pyrazolyl)methylamino]butan-2-yl]ammonium IUPAC Name: dimethyl-[(2R)-3-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]azanium Traditional Name: dimethyl-[(1R)-2-methyl-1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]propyl]ammonium Formula: C17H27N4+ MolecularWeight: 287.42308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNCC1=CN(N=C1)C2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC(C)[C@H](CNCC1=CN(N=C1)C2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C17H26N4/c1-14(2)17(20(3)4)12-18-10-15-11-19-21(13-15)16-8-6-5-7-9-16/h5-9,11,13-14,17-18H,10,12H2,1-4H3/p+1/t17-/m0/s1