2-[[4-(4-pyrrolidin-1-ylcarbonylphenoxy)piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 2-[[4-(4-pyrrolidin-1-ylcarbonylphenoxy)piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 2-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 2-[[4-[4-[oxo(1-pyrrolidinyl)methyl]phenoxy]-1-piperidin-1-iumyl]methyl]-1H-quinolin-4-one IUPAC Name: 2-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 2-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]-4-quinolone Formula: C26H30N3O3+ MolecularWeight: 432.5347

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C26H29N3O3/c30-25-17-20(27-24-6-2-1-5-23(24)25)18-28-15-11-22(12-16-28)32-21-9-7-19(8-10-21)26(31)29-13-3-4-14-29/h1-2,5-10,17,22H,3-4,11-16,18H2,(H,27,30)/p+1