2-[1-[2-(2,5-dimethylphenyl)sulfonylethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[2-(2,5-dimethylphenyl)sulfonylethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[2-(2,5-dimethylphenyl)sulfonylethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-[2-(2,5-dimethylphenyl)sulfonylethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[2-(2,5-dimethylphenyl)sulfonylethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C22H27N2O2S2+ MolecularWeight: 415.59198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H26N2O2S2/c1-16-7-8-17(2)21(15-16)28(25,26)14-13-24-11-9-18(10-12-24)22-23-19-5-3-4-6-20(19)27-22/h3-8,15,18H,9-14H2,1-2H3/p+1