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

Systemtic Name: 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[[3,5-dimethyl-4-(1-piperidylsulfonyl)pyrazol-1-yl]methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[[3,5-dimethyl-4-(1-piperidinylsulfonyl)-1-pyrazolyl]methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[(3,5-dimethyl-4-piperidinosulfonyl-pyrazol-1-yl)methyl]-4-phenyl-piperazin-1-ium Formula: C21H32N5O2S+ MolecularWeight: 418.57608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CCN(CC2)C3=CC=CC=C3)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CCN(CC2)C3=CC=CC=C3)C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H31N5O2S/c1-18-21(29(27,28)25-11-7-4-8-12-25)19(2)26(22-18)17-23-13-15-24(16-14-23)20-9-5-3-6-10-20/h3,5-6,9-10H,4,7-8,11-17H2,1-2H3/p+1