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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H27N3OS/c1-15-6-4-10-22(12-15)14-19(24)23-11-5-7-16(13-23)20-21-17-8-2-3-9-18(17)25-20/h2-3,8-9,15-16H,4-7,10-14H2,1H3/p+1/t15-,16-/m0/s1