5-(1,3-benzothiazol-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]pentan-1-one

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]pentan-1-one Openeye Name: 5-(1,3-benzothiazol-2-yl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]pentan-1-one CAS Name: 5-(1,3-benzothiazol-2-yl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-1-pentanone IUPAC Name: 5-(1,3-benzothiazol-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]pentan-1-one Traditional Name: 5-(1,3-benzothiazol-2-yl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]pentan-1-one Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H26N4OS/c27-22(8-4-3-7-21-24-19-5-1-2-6-20(19)28-21)26-15-13-25(14-16-26)17-18-9-11-23-12-10-18/h1-2,5-6,9-12H,3-4,7-8,13-17H2/p+1