1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[(2,5-dimethyl-3-thienyl)sulfonyl]piperazin-1-ium CAS Name: 1-[(2,5-dimethyl-3-thiophenyl)sulfonyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-[(2,5-dimethyl-3-thienyl)sulfonyl]piperazin-1-ium Formula: C17H23N2O2S2+ MolecularWeight: 351.50672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(S1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

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