1-(4-methoxyphenyl)sulfonyl-4-pentan-3-yl-piperazin-4-ium

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-4-pentan-3-yl-piperazin-4-ium Openeye Name: 1-(1-ethylpropyl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-pentan-3-ylpiperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-pentan-3-ylpiperazin-4-ium Traditional Name: 1-(1-ethylpropyl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium Formula: C16H27N2O3S+ MolecularWeight: 327.46218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCC(CC)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H26N2O3S/c1-4-14(5-2)17-10-12-18(13-11-17)22(19,20)16-8-6-15(21-3)7-9-16/h6-9,14H,4-5,10-13H2,1-3H3/p+1