1-(1-ethyl-5-methyl-pyrazol-4-yl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(1-ethyl-5-methyl-pyrazol-4-yl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(1-ethyl-5-methyl-pyrazol-4-yl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(1-ethyl-5-methyl-4-pyrazolyl)sulfonyl]-4-[(3-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(1-ethyl-5-methyl-pyrazol-4-yl)sulfonyl-4-m-anisyl-piperazin-4-ium Formula: C18H27N4O3S+ MolecularWeight: 379.49698

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC)C

Isomeric SMILES

CCN1C(=C(C=N1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC)C

InChI

InChI=1S/C18H26N4O3S/c1-4-22-15(2)18(13-19-22)26(23,24)21-10-8-20(9-11-21)14-16-6-5-7-17(12-16)25-3/h5-7,12-13H,4,8-11,14H2,1-3H3/p+1