2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide Formula: C19H25N6OS+ MolecularWeight: 385.5064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H24N6OS/c1-13-19(14(2)23-22-13)21-17(26)11-24-7-9-25(10-8-24)12-18-20-15-5-3-4-6-16(15)27-18/h3-6H,7-12H2,1-2H3,(H,21,26)(H,22,23)/p+1