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

Systemtic Name: [4-methoxy-2-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-methoxy-2-[1-(2-thienylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-methoxy-2-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-methoxy-2-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-methoxy-2-[1-(2-thenyl)piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidino-methanone Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C22H28N2O3S/c1-26-18-6-7-20(22(25)24-10-2-3-11-24)21(15-18)27-17-8-12-23(13-9-17)16-19-5-4-14-28-19/h4-7,14-15,17H,2-3,8-13,16H2,1H3/p+1