2-[[3-chloranyl-4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-chloranyl-4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-(1-indan-2-ylpiperidin-1-ium-4-yl)oxy-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-(1-indan-2-ylpiperidin-1-ium-4-yl)oxy-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C25H34ClN3O2+2 MolecularWeight: 444.00936

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC(=C(C=C1)OC2CC[NH+](CC2)C3CC4=CC=CC=C4C3)Cl

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC(=C(C=C1)OC2CC[NH+](CC2)C3CC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C25H32ClN3O2/c1-28(2)14-11-27-25(30)20-7-8-24(23(26)17-20)31-22-9-12-29(13-10-22)21-15-18-5-3-4-6-19(18)16-21/h3-8,17,21-22H,9-16H2,1-2H3,(H,27,30)/p+2