5-(1,3-benzothiazol-2-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-1-one

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-1-one Openeye Name: 5-(1,3-benzothiazol-2-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-1-one CAS Name: 5-(1,3-benzothiazol-2-yl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-1-pentanone IUPAC Name: 5-(1,3-benzothiazol-2-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-1-one Traditional Name: 5-(1,3-benzothiazol-2-yl)-1-(4-pyridin-1-ium-4-ylpiperazino)pentan-1-one Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N4OS/c26-21(25-15-13-24(14-16-25)17-9-11-22-12-10-17)8-4-3-7-20-23-18-5-1-2-6-19(18)27-20/h1-2,5-6,9-12H,3-4,7-8,13-16H2/p+1