(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)methyl-methyl-(phenylmethyl)azanium

Systemtic Name: (3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3,5-dimethyl-4-(1-piperidylsulfonyl)pyrazol-1-yl]methyl]-methyl-ammonium CAS Name: [3,5-dimethyl-4-(1-piperidinylsulfonyl)-1-pyrazolyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-methylazanium Traditional Name: benzyl-[(3,5-dimethyl-4-piperidinosulfonyl-pyrazol-1-yl)methyl]-methyl-ammonium Formula: C19H29N4O2S+ MolecularWeight: 377.52416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+](C)CC2=CC=CC=C2)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=NN1C[NH+](C)CC2=CC=CC=C2)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H28N4O2S/c1-16-19(26(24,25)22-12-8-5-9-13-22)17(2)23(20-16)15-21(3)14-18-10-6-4-7-11-18/h4,6-7,10-11H,5,8-9,12-15H2,1-3H3/p+1