2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C24H30N3O2+ MolecularWeight: 392.5139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2/c1-29-21-13-11-20(12-14-21)23-10-6-3-7-16-26(23)18-24(28)27-17-15-22(25-27)19-8-4-2-5-9-19/h2,4-5,8-9,11-14,23H,3,6-7,10,15-18H2,1H3/p+1/t23-/m1/s1