2-[(2S)-1-methyl-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-methyl-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-methyl-4-[(1-thiazol-2-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[[1-(2-thiazolyl)-2-pyrrolyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-[(1-thiazol-2-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C15H23N4OS+ MolecularWeight: 307.43432

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CC=CN2C3=NC=CS3

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CC=CN2C3=NC=CS3

InChI

InChI=1S/C15H22N4OS/c1-17-7-8-18(11-13(17)4-9-20)12-14-3-2-6-19(14)15-16-5-10-21-15/h2-3,5-6,10,13,20H,4,7-9,11-12H2,1H3/p+1/t13-/m0/s1