1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(1,3-dimethyl-4-pyrazolyl)sulfonyl]-4-[(3-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-m-anisyl-piperazin-4-ium Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1=NN(C=C1S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC)C

InChI

InChI=1S/C17H24N4O3S/c1-14-17(13-19(2)18-14)25(22,23)21-9-7-20(8-10-21)12-15-5-4-6-16(11-15)24-3/h4-6,11,13H,7-10,12H2,1-3H3/p+1