1-[(2,5-dimethylphenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2,5-dimethylphenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(2,5-dimethylphenyl)methyl]-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[(2,5-dimethylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[(2,5-dimethylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-(2,5-dimethylbenzyl)-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C17H23N2O2S2+ MolecularWeight: 351.50672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H22N2O2S2/c1-14-5-6-15(2)16(12-14)13-18-7-9-19(10-8-18)23(20,21)17-4-3-11-22-17/h3-6,11-12H,7-10,13H2,1-2H3/p+1