[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-pyrazol-1-yl]methyl-methyl-(phenylmethyl)azanium

Systemtic Name: [3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-pyrazol-1-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3,5-dimethyl-4-[(4-methyl-1-piperidyl)sulfonyl]pyrazol-1-yl]methyl]-methyl-ammonium CAS Name: [3,5-dimethyl-4-[(4-methyl-1-piperidinyl)sulfonyl]-1-pyrazolyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methyl]-methylazanium Traditional Name: benzyl-[[3,5-dimethyl-4-(4-methylpiperidino)sulfonyl-pyrazol-1-yl]methyl]-methyl-ammonium Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)C[NH+](C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)C[NH+](C)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H30N4O2S/c1-16-10-12-23(13-11-16)27(25,26)20-17(2)21-24(18(20)3)15-22(4)14-19-8-6-5-7-9-19/h5-9,16H,10-15H2,1-4H3/p+1