[4-[2-(3,4-dimethylphenyl)sulfanylethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone

Systemtic Name: [4-[2-(3,4-dimethylphenyl)sulfanylethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone Openeye Name: [4-[2-(3,4-dimethylphenyl)sulfanylethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone CAS Name: [4-[2-[(3,4-dimethylphenyl)thio]ethyl]-1-piperazin-4-iumyl]-(4-methoxyphenyl)methanone IUPAC Name: [4-[2-(3,4-dimethylphenyl)sulfanylethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone Traditional Name: [4-[2-[(3,4-dimethylphenyl)thio]ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone Formula: C22H29N2O2S+ MolecularWeight: 385.54286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-17-4-9-21(16-18(17)2)27-15-14-23-10-12-24(13-11-23)22(25)19-5-7-20(26-3)8-6-19/h4-9,16H,10-15H2,1-3H3/p+1