N-[6-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]carbonyl-1,3-benzothiazol-2-yl]ethanamide

Systemtic Name: N-[6-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]carbonyl-1,3-benzothiazol-2-yl]ethanamide Openeye Name: N-[6-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]-1,3-benzothiazol-2-yl]acetamide CAS Name: N-[6-[oxo-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]methyl]-1,3-benzothiazol-2-yl]acetamide IUPAC Name: N-[6-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-carbonyl]-1,3-benzothiazol-2-yl]acetamide Traditional Name: N-[6-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]-1,3-benzothiazol-2-yl]acetamide Formula: C21H24N5O2S+ MolecularWeight: 410.51256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4

Isomeric SMILES

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4

InChI

InChI=1S/C21H23N5O2S/c1-15(27)23-21-24-18-6-5-16(14-19(18)29-21)20(28)26-12-10-25(11-13-26)9-7-17-4-2-3-8-22-17/h2-6,8,14H,7,9-13H2,1H3,(H,23,24,27)/p+1