5-(3,4-dihydro-2H-quinolin-1-yl)-3-methyl-2-oxidanylidene-3-piperidin-4-yl-4-propyl-isoindol-2-ium-1-one

Systemtic Name: 5-(3,4-dihydro-2H-quinolin-1-yl)-3-methyl-2-oxidanylidene-3-piperidin-4-yl-4-propyl-isoindol-2-ium-1-one Openeye Name: 5-(3,4-dihydro-2H-quinolin-1-yl)-3-methyl-2-oxo-3-(4-piperidyl)-4-propyl-isoindolin-2-ium-1-one CAS Name: 5-(3,4-dihydro-2H-quinolin-1-yl)-3-methyl-2-oxo-3-(4-piperidinyl)-4-propyl-1-isoindol-2-iumone IUPAC Name: 5-(3,4-dihydro-2H-quinolin-1-yl)-3-methyl-2-oxo-3-piperidin-4-yl-4-propylisoindol-2-ium-1-one Traditional Name: 5-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-3-methyl-3-(4-piperidyl)-4-propyl-isoindolin-2-ium-1-one Formula: C26H32N3O2+ MolecularWeight: 418.55118

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1C([N+](=O)C2=O)(C)C3CCNCC3)N4CCCC5=CC=CC=C54

Isomeric SMILES

CCCC1=C(C=CC2=C1C([N+](=O)C2=O)(C)C3CCNCC3)N4CCCC5=CC=CC=C54

InChI

InChI=1S/C26H32N3O2/c1-3-7-20-23(28-17-6-9-18-8-4-5-10-22(18)28)12-11-21-24(20)26(2,29(31)25(21)30)19-13-15-27-16-14-19/h4-5,8,10-12,19,27H,3,6-7,9,13-17H2,1-2H3/q+1