[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-methyl-(3-methylbutyl)azanium

Systemtic Name: [1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-methyl-(3-methylbutyl)azanium Openeye Name: [1-(4-tert-butylphenyl)sulfonyl-4-piperidyl]-isopentyl-methyl-ammonium CAS Name: [1-(4-tert-butylphenyl)sulfonyl-4-piperidinyl]-methyl-(3-methylbutyl)ammonium IUPAC Name: [1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-methyl-(3-methylbutyl)azanium Traditional Name: [1-(4-tert-butylphenyl)sulfonyl-4-piperidyl]-isoamyl-methyl-ammonium Formula: C21H37N2O2S+ MolecularWeight: 381.59568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+](C)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)CC[NH+](C)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H36N2O2S/c1-17(2)11-14-22(6)19-12-15-23(16-13-19)26(24,25)20-9-7-18(8-10-20)21(3,4)5/h7-10,17,19H,11-16H2,1-6H3/p+1