[4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[2-(2,5-dimethylphenyl)sulfonylethyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c1-17-8-9-18(2)20(16-17)27(25,26)15-14-22-10-12-23(13-11-22)21(24)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3/p+1