5-chloranyl-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-amine dichloride

Systemtic Name: 5-chloranyl-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-amine dichloride Openeye Name: 5-chloro-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-amine dichloride CAS Name: 5-chloro-2,6-bis[4-(1-pyrrolidinyl)-1-pyridin-1-iumyl]-4-pyrimidinamine dichloride IUPAC Name: 5-chloro-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-amine dichloride Traditional Name: [5-chloro-2,6-bis(4-pyrrolidinopyridin-1-ium-1-yl)pyrimidin-4-yl]amine dichloride Formula: C22H26Cl3N7 MolecularWeight: 494.84774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=[N+](C=C2)C3=C(C(=NC(=N3)[N+]4=CC=C(C=C4)N5CCCC5)N)Cl.[Cl-].[Cl-]

Isomeric SMILES

C1CCN(C1)C2=CC=[N+](C=C2)C3=C(C(=NC(=N3)[N+]4=CC=C(C=C4)N5CCCC5)N)Cl.[Cl-].[Cl-]

InChI

InChI=1S/C22H26ClN7.2ClH/c23-19-20(24)25-22(30-15-7-18(8-16-30)28-11-3-4-12-28)26-21(19)29-13-5-17(6-14-29)27-9-1-2-10-27;;/h5-8,13-16H,1-4,9-12H2,(H2,24,25,26);2*1H/q+2;;/p-2