N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(4-methoxyphenyl)-4-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(4-methoxyphenyl)-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(4-methoxyphenyl)-4-oxo-pyridazine-3-carboxamide CAS Name: N-[(2R)-2-(4-tert-butylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-(4-methoxyphenyl)-4-oxo-3-pyridazinecarboxamide IUPAC Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide Traditional Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-keto-1-(4-methoxyphenyl)pyridazine-3-carboxamide Formula: C28H35N4O3+ MolecularWeight: 475.6025

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CNC(=O)C2=NN(C=CC2=O)C3=CC=C(C=C3)OC)[NH+]4CCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H](CNC(=O)C2=NN(C=CC2=O)C3=CC=C(C=C3)OC)[NH+]4CCCC4

InChI

InChI=1S/C28H34N4O3/c1-28(2,3)21-9-7-20(8-10-21)24(31-16-5-6-17-31)19-29-27(34)26-25(33)15-18-32(30-26)22-11-13-23(35-4)14-12-22/h7-15,18,24H,5-6,16-17,19H2,1-4H3,(H,29,34)/p+1/t24-/m0/s1