4-[[3-[(2-hydroxyethylamino)methylidene]-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-5-ium-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[3-[(2-hydroxyethylamino)methylidene]-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-5-ium-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[3-[(2-hydroxyethylamino)methylene]-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-5-ium-2-yl]amino]benzenesulfonamide CAS Name: 4-[[3-[(2-hydroxyethylamino)methylidene]-9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidin-5-iumyl]amino]benzenesulfonamide IUPAC Name: 4-[[3-[(2-hydroxyethylamino)methylidene]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-5-ium-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[3-[(2-hydroxyethylamino)methylene]-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-5-ium-2-yl]amino]benzenesulfonamide Formula: C18H20N5O4S+ MolecularWeight: 402.4475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2N=C(C(=CNCCO)C(=O)[N+]2=CC=C1)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=C2N=C(C(=CNCCO)C(=O)[N+]2=CC=C1)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H19N5O4S/c1-12-3-2-9-23-17(12)22-16(15(18(23)25)11-20-8-10-24)21-13-4-6-14(7-5-13)28(19,26)27/h2-7,9,11,24H,8,10H2,1H3,(H3,19,20,21,25,26,27)/p+1