1-(4-bromophenyl)-4,6-bis(oxidanylidene)-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]pyrimidin-2-olate

Systemtic Name: 1-(4-bromophenyl)-4,6-bis(oxidanylidene)-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]pyrimidin-2-olate Openeye Name: 1-(4-bromophenyl)-4,6-dioxo-5-[(3-piperidin-1-ium-1-ylpropylamino)methylene]pyrimidin-2-olate CAS Name: 1-(4-bromophenyl)-4,6-dioxo-5-[[3-(1-piperidin-1-iumyl)propylamino]methylidene]-2-pyrimidinolate IUPAC Name: 1-(4-bromophenyl)-4,6-dioxo-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]pyrimidin-2-olate Traditional Name: 1-(4-bromophenyl)-4,6-diketo-5-[(3-piperidin-1-ium-1-ylpropylamino)methylene]pyrimidin-2-olate Formula: C19H23BrN4O3 MolecularWeight: 435.31492

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC=C2C(=O)N=C(N(C2=O)C3=CC=C(C=C3)Br)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCCNC=C2C(=O)N=C(N(C2=O)C3=CC=C(C=C3)Br)[O-]

InChI

InChI=1S/C19H23BrN4O3/c20-14-5-7-15(8-6-14)24-18(26)16(17(25)22-19(24)27)13-21-9-4-12-23-10-2-1-3-11-23/h5-8,13,21H,1-4,9-12H2,(H,22,25,27)