1-(3-methylbutyl)-4-(4-methylsulfonylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(3-methylbutyl)-4-(4-methylsulfonylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-isopentyl-4-(4-methylsulfonylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(3-methylbutyl)-4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(3-methylbutyl)-4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-isoamyl-4-(4-mesylphenyl)sulfonyl-piperazin-1-ium Formula: C16H27N2O4S2+ MolecularWeight: 375.52658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O4S2/c1-14(2)8-9-17-10-12-18(13-11-17)24(21,22)16-6-4-15(5-7-16)23(3,19)20/h4-7,14H,8-13H2,1-3H3/p+1