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

Systemtic Name: [4-[1-[(5-chloranylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[1-[(5-chloro-2-thienyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[1-[(5-chloro-2-thiophenyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[1-[(5-chloro-2-thienyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C21H26ClN2O2S+ MolecularWeight: 405.96134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=C(S4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C21H25ClN2O2S/c22-20-8-7-19(27-20)15-23-13-9-18(10-14-23)26-17-5-3-16(4-6-17)21(25)24-11-1-2-12-24/h3-8,18H,1-2,9-15H2/p+1