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

Systemtic Name: [2-[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [2-[1-(2-furylmethyl)piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [2-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]oxy]-4-methoxyphenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [2-[1-(2-furfuryl)piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidino-methanone Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)CC4=CC=CO4

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)CC4=CC=CO4

InChI

InChI=1S/C22H28N2O4/c1-26-18-6-7-20(22(25)24-10-2-3-11-24)21(15-18)28-17-8-12-23(13-9-17)16-19-5-4-14-27-19/h4-7,14-15,17H,2-3,8-13,16H2,1H3/p+1