N-methyl-N-[2-[4-(1-pyrimidin-2-ylpyrazol-3-yl)phenoxy]ethyl]pyridin-1-ium-2-amine

Systemtic Name: N-methyl-N-[2-[4-(1-pyrimidin-2-ylpyrazol-3-yl)phenoxy]ethyl]pyridin-1-ium-2-amine Openeye Name: N-methyl-N-[2-[4-(1-pyrimidin-2-ylpyrazol-3-yl)phenoxy]ethyl]pyridin-1-ium-2-amine CAS Name: N-methyl-N-[2-[4-[1-(2-pyrimidinyl)-3-pyrazolyl]phenoxy]ethyl]-2-pyridin-1-iumamine IUPAC Name: N-methyl-N-[2-[4-(1-pyrimidin-2-ylpyrazol-3-yl)phenoxy]ethyl]pyridin-1-ium-2-amine Traditional Name: methyl-pyridin-1-ium-2-yl-[2-[4-[1-(2-pyrimidyl)pyrazol-3-yl]phenoxy]ethyl]amine Formula: C21H21N6O+ MolecularWeight: 373.43104

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)C2=NN(C=C2)C3=NC=CC=N3)C4=CC=CC=[NH+]4

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)C2=NN(C=C2)C3=NC=CC=N3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H20N6O/c1-26(20-5-2-3-11-22-20)15-16-28-18-8-6-17(7-9-18)19-10-14-27(25-19)21-23-12-4-13-24-21/h2-14H,15-16H2,1H3/p+1