N-[1-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-keto-ethyl]piperidin-1-ium-4-yl]benzamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2)CC(=O)NCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2)CC(=O)NCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H26N4O2S/c28-21(24-13-10-22-26-19-8-4-5-9-20(19)30-22)16-27-14-11-18(12-15-27)25-23(29)17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,24,28)(H,25,29)/p+1