2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]phthalazin-1-one Formula: C21H21N4OS+ MolecularWeight: 377.48264

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CN4C(=O)C5=CC=CC=C5C=N4

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CN4C(=O)C5=CC=CC=C5C=N4

InChI

InChI=1S/C21H20N4OS/c26-21-17-6-2-1-5-16(17)13-22-25(21)14-24-11-9-15(10-12-24)20-23-18-7-3-4-8-19(18)27-20/h1-8,13,15H,9-12,14H2/p+1