4-[[[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione

Systemtic Name: 4-[[[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione Openeye Name: 4-[[[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]amino]methylene]-2-(2-pyridyl)isoquinoline-1,3-dione CAS Name: 4-[[[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]amino]methylidene]-2-(2-pyridinyl)isoquinoline-1,3-dione IUPAC Name: 4-[[[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]methylidene]-2-pyridin-2-ylisoquinoline-1,3-dione Traditional Name: 4-[[[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]amino]methylene]-2-(2-pyridyl)isoquinoline-1,3-quinone Formula: C24H24N5O2S+ MolecularWeight: 446.54466

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CSC(=N2)NC=C3C4=CC=CC=C4C(=O)N(C3=O)C5=CC=CC=N5

Isomeric SMILES

C1CC[NH+](CC1)CC2=CSC(=N2)NC=C3C4=CC=CC=C4C(=O)N(C3=O)C5=CC=CC=N5

InChI

InChI=1S/C24H23N5O2S/c30-22-19-9-3-2-8-18(19)20(23(31)29(22)21-10-4-5-11-25-21)14-26-24-27-17(16-32-24)15-28-12-6-1-7-13-28/h2-5,8-11,14,16H,1,6-7,12-13,15H2,(H,26,27)/p+1