[2-[1-[(5-chloranylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone

Systemtic Name: [2-[1-[(5-chloranylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone Openeye Name: [2-[1-[(5-chloro-2-thienyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-(1-piperidyl)methanone CAS Name: [2-[[1-[(5-chloro-2-thiophenyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [2-[1-[(5-chloro-2-thienyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidino-methanone Formula: C22H28ClN2O2S+ MolecularWeight: 419.98792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=CC=C2OC3CC[NH+](CC3)CC4=CC=C(S4)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=CC=C2OC3CC[NH+](CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C22H27ClN2O2S/c23-21-9-8-18(28-21)16-24-14-10-17(11-15-24)27-20-7-3-2-6-19(20)22(26)25-12-4-1-5-13-25/h2-3,6-9,17H,1,4-5,10-16H2/p+1