[5-chloranyl-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-yl]-phenyl-azanide chloride

Systemtic Name: [5-chloranyl-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-yl]-phenyl-azanide chloride Openeye Name: [5-chloro-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-yl]-phenyl-azanide chloride CAS Name: [5-chloro-2,6-bis[4-(1-pyrrolidinyl)-1-pyridin-1-iumyl]-4-pyrimidinyl]-phenylazanide chloride IUPAC Name: [5-chloro-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-yl]-phenylazanide chloride Traditional Name: [5-chloro-2,6-bis(4-pyrrolidinopyridin-1-ium-1-yl)pyrimidin-4-yl]-phenyl-azanide chloride Formula: C28H29Cl2N7 MolecularWeight: 534.48276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=[N+](C=C2)C3=NC(=NC(=C3Cl)[N-]C4=CC=CC=C4)[N+]5=CC=C(C=C5)N6CCCC6.[Cl-]

Isomeric SMILES

C1CCN(C1)C2=CC=[N+](C=C2)C3=NC(=NC(=C3Cl)[N-]C4=CC=CC=C4)[N+]5=CC=C(C=C5)N6CCCC6.[Cl-]

InChI

InChI=1S/C28H29ClN7.ClH/c29-25-26(30-22-8-2-1-3-9-22)31-28(36-20-12-24(13-21-36)34-16-6-7-17-34)32-27(25)35-18-10-23(11-19-35)33-14-4-5-15-33;/h1-3,8-13,18-21H,4-7,14-17H2;1H/q+1;/p-1