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

Systemtic Name: 5-chloranyl-4-propan-2-yloxy-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidine Openeye Name: 5-chloro-4-isopropoxy-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidine CAS Name: 5-chloro-4-propan-2-yloxy-2,6-bis[4-(1-pyrrolidinyl)-1-pyridin-1-iumyl]pyrimidine IUPAC Name: 5-chloro-4-propan-2-yloxy-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidine Traditional Name: 5-chloro-4-isopropoxy-2,6-bis(4-pyrrolidinopyridin-1-ium-1-yl)pyrimidine Formula: C25H31ClN6O+2 MolecularWeight: 467.00624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC(=NC(=C1Cl)[N+]2=CC=C(C=C2)N3CCCC3)[N+]4=CC=C(C=C4)N5CCCC5

Isomeric SMILES

CC(C)OC1=NC(=NC(=C1Cl)[N+]2=CC=C(C=C2)N3CCCC3)[N+]4=CC=C(C=C4)N5CCCC5

InChI

InChI=1S/C25H31ClN6O/c1-19(2)33-24-22(26)23(31-15-7-20(8-16-31)29-11-3-4-12-29)27-25(28-24)32-17-9-21(10-18-32)30-13-5-6-14-30/h7-10,15-19H,3-6,11-14H2,1-2H3/q+2