2-[[3-chloranyl-4-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-chloranyl-4-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C22H31ClN4O2+2 MolecularWeight: 418.96014

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC(=C(C=C1)OC2CC[NH+](CC2)CC3=CC=NC=C3)Cl

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC(=C(C=C1)OC2CC[NH+](CC2)CC3=CC=NC=C3)Cl

InChI

InChI=1S/C22H29ClN4O2/c1-26(2)14-11-25-22(28)18-3-4-21(20(23)15-18)29-19-7-12-27(13-8-19)16-17-5-9-24-10-6-17/h3-6,9-10,15,19H,7-8,11-14,16H2,1-2H3,(H,25,28)/p+2