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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propan-1-one Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N4OS/c25-20(6-5-19-22-17-3-1-2-4-18(17)26-19)24-13-11-23(12-14-24)15-16-7-9-21-10-8-16/h1-4,7-10H,5-6,11-15H2/p+1