1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanone Openeye Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C25H27N4O2S+ MolecularWeight: 447.57248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H26N4O2S/c1-18(30)29-11-10-19-6-2-3-7-20(19)22(29)16-25(31)28-14-12-27(13-15-28)17-24-26-21-8-4-5-9-23(21)32-24/h2-11,22H,12-17H2,1H3/p+1/t22-/m0/s1