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

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

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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

Isomeric SMILES

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

InChI

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