4,5-dimethyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]phenol

Systemtic Name: 4,5-dimethyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 4,5-dimethyl-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4,5-dimethyl-2-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]phenol IUPAC Name: 4,5-dimethyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 4,5-dimethyl-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C17H23N2O3S2+ MolecularWeight: 367.50612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1C)O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H22N2O3S2/c1-13-10-15(16(20)11-14(13)2)12-18-5-7-19(8-6-18)24(21,22)17-4-3-9-23-17/h3-4,9-11,20H,5-8,12H2,1-2H3/p+1