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

Systemtic Name: 2-[[3-chloranyl-4-(1-cycloheptylpiperidin-1-ium-4-yl)oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-(1-cycloheptylpiperidin-1-ium-4-yl)oxy-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[(1-cycloheptyl-4-piperidin-1-iumyl)oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-(1-cycloheptylpiperidin-1-ium-4-yl)oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-(1-cycloheptylpiperidin-1-ium-4-yl)oxy-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C23H38ClN3O2+2 MolecularWeight: 424.01972

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC(=C(C=C1)OC2CC[NH+](CC2)C3CCCCCC3)Cl

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC(=C(C=C1)OC2CC[NH+](CC2)C3CCCCCC3)Cl

InChI

InChI=1S/C23H36ClN3O2/c1-26(2)16-13-25-23(28)18-9-10-22(21(24)17-18)29-20-11-14-27(15-12-20)19-7-5-3-4-6-8-19/h9-10,17,19-20H,3-8,11-16H2,1-2H3,(H,25,28)/p+2