2-[(2S)-1-(2,2-dimethylpropyl)-4-[(5-methylthiophen-2-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(5-methylthiophen-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(5-methyl-2-thienyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(5-methyl-2-thiophenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(5-methylthiophen-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(5-methyl-2-thienyl)methyl]-1-neopentyl-piperazin-1-ium-2-yl]ethanol Formula: C17H31N2OS+ MolecularWeight: 311.50584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN2CC[NH+](C(C2)CCO)CC(C)(C)C

Isomeric SMILES

CC1=CC=C(S1)CN2CC[NH+]([C@H](C2)CCO)CC(C)(C)C

InChI

InChI=1S/C17H30N2OS/c1-14-5-6-16(21-14)12-18-8-9-19(13-17(2,3)4)15(11-18)7-10-20/h5-6,15,20H,7-13H2,1-4H3/p+1/t15-/m0/s1