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

Systemtic Name: 1-(azepan-1-yl)-2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethanone Formula: C19H27N4OS+ MolecularWeight: 359.50888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H26N4OS/c24-18(22-9-5-1-2-6-10-22)15-21-11-13-23(14-12-21)19-20-16-7-3-4-8-17(16)25-19/h3-4,7-8H,1-2,5-6,9-15H2/p+1