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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-pyridin-2-ylquinolin-4-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[2-(2-pyridyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-[2-(2-pyridinyl)-4-quinolinyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-pyridin-2-ylquinolin-4-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[2-(2-pyridyl)-4-quinolyl]methanone Formula: C27H24N5OS+ MolecularWeight: 466.57736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=N6

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=N6

InChI

InChI=1S/C27H23N5OS/c33-27(20-17-24(22-9-5-6-12-28-22)29-21-8-2-1-7-19(20)21)32-15-13-31(14-16-32)18-26-30-23-10-3-4-11-25(23)34-26/h1-12,17H,13-16,18H2/p+1