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

Systemtic Name: 5-chloranyl-N-phenyl-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-amine Openeye Name: 5-chloro-N-phenyl-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-amine CAS Name: 5-chloro-N-phenyl-2,6-bis[4-(1-pyrrolidinyl)-1-pyridin-1-iumyl]-4-pyrimidinamine IUPAC Name: 5-chloro-N-phenyl-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-amine Traditional Name: [5-chloro-2,6-bis(4-pyrrolidinopyridin-1-ium-1-yl)pyrimidin-4-yl]-phenyl-amine Formula: C28H30ClN7+2 MolecularWeight: 500.0377

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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)NC6=CC=CC=C6)Cl

Isomeric SMILES

C1CCN(C1)C2=CC=[N+](C=C2)C3=C(C(=NC(=N3)[N+]4=CC=C(C=C4)N5CCCC5)NC6=CC=CC=C6)Cl

InChI

InChI=1S/C28H30ClN7/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,(H,30,31,32)/q+2