1-[3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C22H28N2O3S/c1-17(2)20-9-7-19(8-10-20)16-23-11-13-24(14-12-23)28(26,27)22-6-4-5-21(15-22)18(3)25/h4-10,15,17H,11-14,16H2,1-3H3/p+1