1-[(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)methyl]-4-(2-phenoxyethyl)piperazin-4-ium

Systemtic Name: 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)methyl]-4-(2-phenoxyethyl)piperazin-4-ium Openeye Name: 1-[[3,5-dimethyl-4-(1-piperidylsulfonyl)pyrazol-1-yl]methyl]-4-(2-phenoxyethyl)piperazin-4-ium CAS Name: 1-[[3,5-dimethyl-4-(1-piperidinylsulfonyl)-1-pyrazolyl]methyl]-4-(2-phenoxyethyl)piperazin-4-ium IUPAC Name: 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-4-(2-phenoxyethyl)piperazin-4-ium Traditional Name: 1-[(3,5-dimethyl-4-piperidinosulfonyl-pyrazol-1-yl)methyl]-4-(2-phenoxyethyl)piperazin-4-ium Formula: C23H36N5O3S+ MolecularWeight: 462.62864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2CC[NH+](CC2)CCOC3=CC=CC=C3)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1CN2CC[NH+](CC2)CCOC3=CC=CC=C3)C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H35N5O3S/c1-20-23(32(29,30)27-11-7-4-8-12-27)21(2)28(24-20)19-26-15-13-25(14-16-26)17-18-31-22-9-5-3-6-10-22/h3,5-6,9-10H,4,7-8,11-19H2,1-2H3/p+1