(2S)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-methyl-2-propan-2-yl-piperazin-4-ium

Systemtic Name: (2S)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-methyl-2-propan-2-yl-piperazin-4-ium Openeye Name: (2S)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-2-isopropyl-4-methyl-piperazin-4-ium CAS Name: (2S)-1-[[3-(3-chlorophenyl)-1-methyl-4-pyrazolyl]methyl]-4-methyl-2-propan-2-ylpiperazin-4-ium IUPAC Name: (2S)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-4-methyl-2-propan-2-ylpiperazin-4-ium Traditional Name: (2S)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-2-isopropyl-4-methyl-piperazin-4-ium Formula: C19H28ClN4+ MolecularWeight: 347.90542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C[NH+](CCN1CC2=CN(N=C2C3=CC(=CC=C3)Cl)C)C

Isomeric SMILES

CC(C)[C@H]1C[NH+](CCN1CC2=CN(N=C2C3=CC(=CC=C3)Cl)C)C

InChI

InChI=1S/C19H27ClN4/c1-14(2)18-13-22(3)8-9-24(18)12-16-11-23(4)21-19(16)15-6-5-7-17(20)10-15/h5-7,10-11,14,18H,8-9,12-13H2,1-4H3/p+1/t18-/m1/s1