1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone

Systemtic Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Openeye Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone CAS Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(4-methyl-1-piperazine-1,4-diiumyl)ethanone IUPAC Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Traditional Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Formula: C19H28N4OS+2 MolecularWeight: 360.51682

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H26N4OS/c1-21-9-11-22(12-10-21)14-18(24)23-8-4-5-15(13-23)19-20-16-6-2-3-7-17(16)25-19/h2-3,6-7,15H,4-5,8-14H2,1H3/p+2/t15-/m1/s1