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

Systemtic Name: [3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-pyrazol-1-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3,5-dimethyl-4-[(4-methyl-1-piperidyl)sulfonyl]pyrazol-1-yl]methyl]-ethyl-ammonium CAS Name: [3,5-dimethyl-4-[(4-methyl-1-piperidinyl)sulfonyl]-1-pyrazolyl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methyl]-ethylazanium Traditional Name: benzyl-[[3,5-dimethyl-4-(4-methylpiperidino)sulfonyl-pyrazol-1-yl]methyl]-ethyl-ammonium Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C(=C(C(=N2)C)S(=O)(=O)N3CCC(CC3)C)C

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C(=C(C(=N2)C)S(=O)(=O)N3CCC(CC3)C)C

InChI

InChI=1S/C21H32N4O2S/c1-5-23(15-20-9-7-6-8-10-20)16-25-19(4)21(18(3)22-25)28(26,27)24-13-11-17(2)12-14-24/h6-10,17H,5,11-16H2,1-4H3/p+1