2-[(2S)-1-(2-methylpropyl)-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(2-methylpropyl)-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isobutyl-4-[(2-pyrrolidin-1-ylthiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2-methylpropyl)-4-[[2-(1-pyrrolidinyl)-5-thiazolyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2-methylpropyl)-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isobutyl-4-[(2-pyrrolidinothiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C18H33N4OS+ MolecularWeight: 353.54582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCN(CC1CCO)CC2=CN=C(S2)N3CCCC3

Isomeric SMILES

CC(C)C[NH+]1CCN(C[C@@H]1CCO)CC2=CN=C(S2)N3CCCC3

InChI

InChI=1S/C18H32N4OS/c1-15(2)12-22-9-8-20(13-16(22)5-10-23)14-17-11-19-18(24-17)21-6-3-4-7-21/h11,15-16,23H,3-10,12-14H2,1-2H3/p+1/t16-/m0/s1