2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-methylpiperidino)ethanone Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1CCN(CC1)C(=O)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H27N3OS/c1-15-8-11-23(12-9-15)19(24)14-22-10-4-5-16(13-22)20-21-17-6-2-3-7-18(17)25-20/h2-3,6-7,15-16H,4-5,8-14H2,1H3/p+1/t16-/m1/s1