3-methoxy-6-[3-[1-(2-pyrrolidin-1-ium-1-ylethyl)pyrazol-3-yl]phenyl]pyridazine

Systemtic Name: 3-methoxy-6-[3-[1-(2-pyrrolidin-1-ium-1-ylethyl)pyrazol-3-yl]phenyl]pyridazine Openeye Name: 3-methoxy-6-[3-[1-(2-pyrrolidin-1-ium-1-ylethyl)pyrazol-3-yl]phenyl]pyridazine CAS Name: 3-methoxy-6-[3-[1-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-pyrazolyl]phenyl]pyridazine IUPAC Name: 3-methoxy-6-[3-[1-(2-pyrrolidin-1-ium-1-ylethyl)pyrazol-3-yl]phenyl]pyridazine Traditional Name: 3-methoxy-6-[3-[1-(2-pyrrolidin-1-ium-1-ylethyl)pyrazol-3-yl]phenyl]pyridazine Formula: C20H24N5O+ MolecularWeight: 350.43746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)C2=CC(=CC=C2)C3=NN(C=C3)CC[NH+]4CCCC4

Isomeric SMILES

COC1=NN=C(C=C1)C2=CC(=CC=C2)C3=NN(C=C3)CC[NH+]4CCCC4

InChI

InChI=1S/C20H23N5O/c1-26-20-8-7-18(21-22-20)16-5-4-6-17(15-16)19-9-12-25(23-19)14-13-24-10-2-3-11-24/h4-9,12,15H,2-3,10-11,13-14H2,1H3/p+1