3-[4-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methyl]-1-phenyl-pyrazol-3-yl]chromen-2-one

Systemtic Name: 3-[4-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methyl]-1-phenyl-pyrazol-3-yl]chromen-2-one Openeye Name: 3-[4-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methyl]-1-phenyl-pyrazol-3-yl]chromen-2-one CAS Name: 3-[4-[[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]methyl]-1-phenyl-3-pyrazolyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methyl]-1-phenylpyrazol-3-yl]chromen-2-one Traditional Name: 3-[4-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methyl]-1-phenyl-pyrazol-3-yl]coumarin Formula: C26H29N4O2+ MolecularWeight: 429.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNCC2=CN(N=C2C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNCC2=CN(N=C2C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5

InChI

InChI=1S/C26H28N4O2/c1-2-29-14-8-12-22(29)17-27-16-20-18-30(21-10-4-3-5-11-21)28-25(20)23-15-19-9-6-7-13-24(19)32-26(23)31/h3-7,9-11,13,15,18,22,27H,2,8,12,14,16-17H2,1H3/p+1/t22-/m0/s1