5-[3-[1-methyl-4-(3-methylphenyl)piperidin-1-ium-1-yl]propoxy]-1H-quinolin-2-one iodide

Systemtic Name: 5-[3-[1-methyl-4-(3-methylphenyl)piperidin-1-ium-1-yl]propoxy]-1H-quinolin-2-one iodide Openeye Name: 5-[3-[1-methyl-4-(m-tolyl)piperidin-1-ium-1-yl]propoxy]-1H-quinolin-2-one iodide CAS Name: 5-[3-[1-methyl-4-(3-methylphenyl)-1-piperidin-1-iumyl]propoxy]-1H-quinolin-2-one iodide IUPAC Name: 5-[3-[1-methyl-4-(3-methylphenyl)piperidin-1-ium-1-yl]propoxy]-1H-quinolin-2-one iodide Traditional Name: 5-[3-[1-methyl-4-(m-tolyl)piperidin-1-ium-1-yl]propoxy]carbostyril iodide Formula: C25H31IN2O2 MolecularWeight: 518.43031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2CC[N+](CC2)(C)CCCOC3=CC=CC4=C3C=CC(=O)N4.[I-]

Isomeric SMILES

CC1=CC=CC(=C1)C2CC[N+](CC2)(C)CCCOC3=CC=CC4=C3C=CC(=O)N4.[I-]

InChI

InChI=1S/C25H30N2O2.HI/c1-19-6-3-7-21(18-19)20-12-15-27(2,16-13-20)14-5-17-29-24-9-4-8-23-22(24)10-11-25(28)26-23;/h3-4,6-11,18,20H,5,12-17H2,1-2H3;1H