1-[[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-pyrazol-1-yl]methyl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-pyrazol-1-yl]methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[[3,5-dimethyl-4-[(4-methyl-1-piperidyl)sulfonyl]pyrazol-1-yl]methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[[3,5-dimethyl-4-[(4-methyl-1-piperidinyl)sulfonyl]-1-pyrazolyl]methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[[3,5-dimethyl-4-(4-methylpiperidino)sulfonyl-pyrazol-1-yl]methyl]-4-phenyl-piperazin-1-ium Formula: C22H34N5O2S+ MolecularWeight: 432.60266

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H33N5O2S/c1-18-9-11-26(12-10-18)30(28,29)22-19(2)23-27(20(22)3)17-24-13-15-25(16-14-24)21-7-5-4-6-8-21/h4-8,18H,9-17H2,1-3H3/p+1