5-chloranyl-4-methoxy-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidine

Systemtic Name: 5-chloranyl-4-methoxy-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidine Openeye Name: 5-chloro-4-methoxy-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidine CAS Name: 5-chloro-4-methoxy-2,6-bis[4-(1-pyrrolidinyl)-1-pyridin-1-iumyl]pyrimidine IUPAC Name: 5-chloro-4-methoxy-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidine Traditional Name: 5-chloro-4-methoxy-2,6-bis(4-pyrrolidinopyridin-1-ium-1-yl)pyrimidine Formula: C23H27ClN6O+2 MolecularWeight: 438.95308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1Cl)[N+]2=CC=C(C=C2)N3CCCC3)[N+]4=CC=C(C=C4)N5CCCC5

Isomeric SMILES

COC1=NC(=NC(=C1Cl)[N+]2=CC=C(C=C2)N3CCCC3)[N+]4=CC=C(C=C4)N5CCCC5

InChI

InChI=1S/C23H27ClN6O/c1-31-22-20(24)21(29-14-6-18(7-15-29)27-10-2-3-11-27)25-23(26-22)30-16-8-19(9-17-30)28-12-4-5-13-28/h6-9,14-17H,2-5,10-13H2,1H3/q+2