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

Systemtic Name: 5-chloranyl-4-ethoxy-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidine Openeye Name: 5-chloro-4-ethoxy-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidine CAS Name: 5-chloro-4-ethoxy-2,6-bis[4-(1-pyrrolidinyl)-1-pyridin-1-iumyl]pyrimidine IUPAC Name: 5-chloro-4-ethoxy-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidine Traditional Name: 5-chloro-4-ethoxy-2,6-bis(4-pyrrolidinopyridin-1-ium-1-yl)pyrimidine Formula: C24H29ClN6O+2 MolecularWeight: 452.97966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=C1Cl)[N+]2=CC=C(C=C2)N3CCCC3)[N+]4=CC=C(C=C4)N5CCCC5

Isomeric SMILES

CCOC1=NC(=NC(=C1Cl)[N+]2=CC=C(C=C2)N3CCCC3)[N+]4=CC=C(C=C4)N5CCCC5

InChI

InChI=1S/C24H29ClN6O/c1-2-32-23-21(25)22(30-15-7-19(8-16-30)28-11-3-4-12-28)26-24(27-23)31-17-9-20(10-18-31)29-13-5-6-14-29/h7-10,15-18H,2-6,11-14H2,1H3/q+2