1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazino]-2-piperidin-1-ium-1-yl-ethanone Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C21H33N3O3S/c1-21(2,3)18-7-9-19(10-8-18)28(26,27)24-15-13-23(14-16-24)20(25)17-22-11-5-4-6-12-22/h7-10H,4-6,11-17H2,1-3H3/p+1