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

Systemtic Name: 2-[[3-chloranyl-4-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[1-(3-thienylmethyl)piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-(3-thiophenylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-[1-(3-thenyl)piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C21H30ClN3O2S+2 MolecularWeight: 423.9998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN3O2S/c1-24(2)11-8-23-21(26)17-3-4-20(19(22)13-17)27-18-5-9-25(10-6-18)14-16-7-12-28-15-16/h3-4,7,12-13,15,18H,5-6,8-11,14H2,1-2H3,(H,23,26)/p+2