[2-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [2-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [2-[1-[(E)-3-(2-furyl)allyl]piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [2-[[1-[(E)-3-(2-furanyl)prop-2-enyl]-4-piperidin-1-iumyl]oxy]-4-methoxyphenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-1-ium-4-yl]oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [2-[1-[(E)-3-(2-furyl)allyl]piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidino-methanone Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)C/C=C/C4=CC=CO4

InChI

InChI=1S/C24H30N2O4/c1-28-21-8-9-22(24(27)26-13-2-3-14-26)23(18-21)30-20-10-15-25(16-11-20)12-4-6-19-7-5-17-29-19/h4-9,17-18,20H,2-3,10-16H2,1H3/p+1/b6-4+