3,4-dihydro-1H-isoquinolin-2-yl-[3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]oxyphenyl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]oxyphenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]oxyphenyl]methanone Formula: C27H37N3O2+2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H35N3O2/c1-28-14-10-24(11-15-28)29-17-12-25(13-18-29)32-26-8-4-7-22(19-26)27(31)30-16-9-21-5-2-3-6-23(21)20-30/h2-8,19,24-25H,9-18,20H2,1H3/p+2