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

Systemtic Name: 2-[[3-chloranyl-4-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-[(4-ethynylphenyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-[1-(4-ethynylbenzyl)piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C25H32ClN3O2+2 MolecularWeight: 441.99348

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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=C(C=C3)C#C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN3O2/c1-4-19-5-7-20(8-6-19)18-29-14-11-22(12-15-29)31-24-10-9-21(17-23(24)26)25(30)27-13-16-28(2)3/h1,5-10,17,22H,11-16,18H2,2-3H3,(H,27,30)/p+2