2-[[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 2-[[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 2-[[4-(3-oxo-3-pyrrolidin-1-yl-propyl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 2-[[4-[3-oxo-3-(1-pyrrolidinyl)propyl]-1-piperidin-1-iumyl]methyl]-1H-quinolin-4-one IUPAC Name: 2-[[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 2-[[4-(3-keto-3-pyrrolidino-propyl)piperidin-1-ium-1-yl]methyl]-4-quinolone Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC2CC[NH+](CC2)CC3=CC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CCN(C1)C(=O)CCC2CC[NH+](CC2)CC3=CC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H29N3O2/c26-21-15-18(23-20-6-2-1-5-19(20)21)16-24-13-9-17(10-14-24)7-8-22(27)25-11-3-4-12-25/h1-2,5-6,15,17H,3-4,7-14,16H2,(H,23,26)/p+1