[4-chloranyl-2-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-chloranyl-2-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]-piperidin-1-yl-methanone Openeye Name: [4-chloro-2-[1-(2-thienylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]-(1-piperidyl)methanone CAS Name: [4-chloro-2-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-chloro-2-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [4-chloro-2-[1-(2-thenyl)piperidin-1-ium-4-yl]oxy-phenyl]-piperidino-methanone Formula: C22H28ClN2O2S+ MolecularWeight: 419.98792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)OC3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)OC3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C22H27ClN2O2S/c23-17-6-7-20(22(26)25-10-2-1-3-11-25)21(15-17)27-18-8-12-24(13-9-18)16-19-5-4-14-28-19/h4-7,14-15,18H,1-3,8-13,16H2/p+1