1-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-(4-benzylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-(4-benzylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanone Traditional Name: 1-[4-(4-benzylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanone Formula: C19H23N2O3S+ MolecularWeight: 359.46252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O3S/c1-16(22)18-7-9-19(10-8-18)25(23,24)21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3/p+1