N-[6-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylpyridin-2-yl]ethanamide

Systemtic Name: N-[6-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylpyridin-2-yl]ethanamide Openeye Name: N-[6-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2-pyridyl]acetamide CAS Name: N-[6-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-pyridinyl]acetamide IUPAC Name: N-[6-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyridin-2-yl]acetamide Traditional Name: N-[6-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2-pyridyl]acetamide Formula: C20H22N5O2S+ MolecularWeight: 396.48598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=N1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)NC1=CC=CC(=N1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N5O2S/c1-14(26)21-18-8-4-6-16(22-18)20(27)25-11-9-24(10-12-25)13-19-23-15-5-2-3-7-17(15)28-19/h2-8H,9-13H2,1H3,(H,21,22,26)/p+1