N-[4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]ethanamide

Systemtic Name: N-[4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]ethanamide Openeye Name: N-[4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]thiazol-2-yl]acetamide CAS Name: N-[4-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]methyl]-2-thiazolyl]acetamide IUPAC Name: N-[4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide Traditional Name: N-[4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]thiazol-2-yl]acetamide Formula: C18H22N5OS2+ MolecularWeight: 388.53018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)NC1=NC(=CS1)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H21N5OS2/c1-13(24)19-18-20-14(12-25-18)10-22-6-8-23(9-7-22)11-17-21-15-4-2-3-5-16(15)26-17/h2-5,12H,6-11H2,1H3,(H,19,20,24)/p+1