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

Systemtic Name: 5-methyl-4-propan-2-yl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 4-isopropyl-5-methyl-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 5-methyl-4-propan-2-yl-2-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]phenol IUPAC Name: 5-methyl-4-propan-2-yl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 4-isopropyl-5-methyl-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C19H27N2O3S2+ MolecularWeight: 395.55928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O3S2/c1-14(2)17-12-16(18(22)11-15(17)3)13-20-6-8-21(9-7-20)26(23,24)19-5-4-10-25-19/h4-5,10-12,14,22H,6-9,13H2,1-3H3/p+1