1-[(3R)-3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]ethanone

Systemtic Name: 1-[(3R)-3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]ethanone Openeye Name: 1-[(3R)-3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-1-piperidyl]ethanone CAS Name: 1-[(3R)-3-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-piperidinyl]ethanone IUPAC Name: 1-[(3R)-3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]piperidin-1-yl]ethanone Traditional Name: 1-[(3R)-3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]piperidino]ethanone Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC(C1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)N1CCC[C@H](C1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

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