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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[4-(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+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

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