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

Systemtic Name: (4-chlorophenyl)methyl-[[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-pyrazol-1-yl]methyl]-methyl-azanium Openeye Name: (4-chlorophenyl)methyl-[[3,5-dimethyl-4-[(4-methyl-1-piperidyl)sulfonyl]pyrazol-1-yl]methyl]-methyl-ammonium CAS Name: (4-chlorophenyl)methyl-[[3,5-dimethyl-4-[(4-methyl-1-piperidinyl)sulfonyl]-1-pyrazolyl]methyl]-methylammonium IUPAC Name: (4-chlorophenyl)methyl-[[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methyl]-methylazanium Traditional Name: (4-chlorobenzyl)-[[3,5-dimethyl-4-(4-methylpiperidino)sulfonyl-pyrazol-1-yl]methyl]-methyl-ammonium Formula: C20H30ClN4O2S+ MolecularWeight: 425.9958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN4O2S/c1-15-9-11-24(12-10-15)28(26,27)20-16(2)22-25(17(20)3)14-23(4)13-18-5-7-19(21)8-6-18/h5-8,15H,9-14H2,1-4H3/p+1