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

Systemtic Name: 2-[(2S)-1-(3-methylbutyl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopentyl-4-[(2-methylthiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbutyl)-4-[(2-methyl-5-thiazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbutyl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isoamyl-4-[(2-methylthiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C16H30N3OS+ MolecularWeight: 312.4939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29N3OS/c1-13(2)4-6-19-8-7-18(11-15(19)5-9-20)12-16-10-17-14(3)21-16/h10,13,15,20H,4-9,11-12H2,1-3H3/p+1/t15-/m0/s1