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

Systemtic Name: 1-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]ethanone Openeye Name: 1-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-1-piperidyl]ethanone CAS Name: 1-[4-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[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)N1CCC(CC1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

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