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

Systemtic Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(2-methylthiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(2-methyl-5-thiazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(2-methylthiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C18H32N3OS+ MolecularWeight: 338.53118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(S1)CN2CC[NH+](C(C2)CCO)CC3CCCCC3

Isomeric SMILES

CC1=NC=C(S1)CN2CC[NH+]([C@H](C2)CCO)CC3CCCCC3

InChI

InChI=1S/C18H31N3OS/c1-15-19-11-18(23-15)14-20-8-9-21(17(13-20)7-10-22)12-16-5-3-2-4-6-16/h11,16-17,22H,2-10,12-14H2,1H3/p+1/t17-/m0/s1