3-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]-N-ethyl-benzamide

Systemtic Name: 3-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]-N-ethyl-benzamide Openeye Name: 3-[[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-N-ethyl-benzamide CAS Name: 3-[[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]-N-ethylbenzamide IUPAC Name: 3-[[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-N-ethylbenzamide Traditional Name: 3-[[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-N-ethyl-benzamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H26N4O2S/c1-2-24-22(29)16-7-5-9-18(13-16)25-21(28)15-27-12-6-8-17(14-27)23-26-19-10-3-4-11-20(19)30-23/h3-5,7,9-11,13,17H,2,6,8,12,14-15H2,1H3,(H,24,29)(H,25,28)/p+1/t17-/m1/s1