N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[3-(2-methylthiazol-4-yl)phenyl]-2-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[3-(2-methyl-4-thiazolyl)phenyl]-2-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-[3-(2-methylthiazol-4-yl)phenyl]-2-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C21H30N4O2S+2 MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C[NH+]3CC[NH+](CC3)CC4CCCO4

Isomeric SMILES

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C[NH+]3CC[NH+](CC3)C[C@H]4CCCO4

InChI

InChI=1S/C21H28N4O2S/c1-16-22-20(15-28-16)17-4-2-5-18(12-17)23-21(26)14-25-9-7-24(8-10-25)13-19-6-3-11-27-19/h2,4-5,12,15,19H,3,6-11,13-14H2,1H3,(H,23,26)/p+2/t19-/m1/s1