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

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

Systemtic Name:2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone
Openeye Name:2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone
CAS Name:2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-1-(1H-pyrrol-2-yl)ethanone
IUPAC Name:2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone
Traditional Name:2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone
Formula: C18H21N4OS+
MolecularWeight: 341.45054
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CC=CN2)CC3=NC4=CC=CC=C4S3


Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CC=CN2)CC3=NC4=CC=CC=C4S3


InChI

InChI=1S/C18H20N4OS/c23-16(14-5-3-7-19-14)12-21-8-10-22(11-9-21)13-18-20-15-4-1-2-6-17(15)24-18/h1-7,19H,8-13H2/p+1


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