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

Systemtic Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanone Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H26N4O2S/c1-15(25)23-9-11-24(12-10-23)19(26)14-22-8-4-5-16(13-22)20-21-17-6-2-3-7-18(17)27-20/h2-3,6-7,16H,4-5,8-14H2,1H3/p+1/t16-/m1/s1