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

Systemtic Name: 2-[(2S)-1-propan-2-yl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopropyl-4-[(2-pyrrolidin-1-ylthiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-propan-2-yl-4-[[2-(1-pyrrolidinyl)-5-thiazolyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-propan-2-yl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isopropyl-4-[(2-pyrrolidinothiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C17H31N4OS+ MolecularWeight: 339.51924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N4OS/c1-14(2)21-9-8-19(12-15(21)5-10-22)13-16-11-18-17(23-16)20-6-3-4-7-20/h11,14-15,22H,3-10,12-13H2,1-2H3/p+1/t15-/m0/s1