(4R)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(piperidin-1-ium-4-ylmethyliminomethyl)-4H-pyrazol-3-one

Systemtic Name: (4R)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(piperidin-1-ium-4-ylmethyliminomethyl)-4H-pyrazol-3-one Openeye Name: (4R)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(piperidin-1-ium-4-ylmethyliminomethyl)-4H-pyrazol-3-one CAS Name: (4R)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(4-piperidin-1-iumylmethyliminomethyl)-4H-pyrazol-3-one IUPAC Name: (4R)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(piperidin-1-ium-4-ylmethyliminomethyl)-4H-pyrazol-3-one Traditional Name: (4R)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(piperidin-1-ium-4-ylmethyliminomethyl)-2-pyrazolin-3-one Formula: C23H24N5OS+ MolecularWeight: 418.53456

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1CN=CC2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1C[NH2+]CCC1CN=C[C@@H]2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C23H23N5OS/c29-22-18(15-25-14-16-10-12-24-13-11-16)21(17-6-2-1-3-7-17)27-28(22)23-26-19-8-4-5-9-20(19)30-23/h1-9,15-16,18,24H,10-14H2/p+1/t18-/m1/s1