[5-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-piperidin-1-yl-methanone

Systemtic Name: [5-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-piperidin-1-yl-methanone Openeye Name: [5-[4-hydroxy-1-[(E)-3-(4-methoxyphenyl)allyl]piperidin-1-ium-4-yl]benzofuran-2-yl]-(1-piperidyl)methanone CAS Name: [5-[4-hydroxy-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-piperidin-1-iumyl]-2-benzofuranyl]-(1-piperidinyl)methanone IUPAC Name: [5-[4-hydroxy-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone Traditional Name: [5-[4-hydroxy-1-[(E)-3-(4-methoxyphenyl)allyl]piperidin-1-ium-4-yl]benzofuran-2-yl]-piperidino-methanone Formula: C29H35N2O4+ MolecularWeight: 475.5992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCCCC5)O

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCCCC5)O

InChI

InChI=1S/C29H34N2O4/c1-34-25-10-7-22(8-11-25)6-5-15-30-18-13-29(33,14-19-30)24-9-12-26-23(20-24)21-27(35-26)28(32)31-16-3-2-4-17-31/h5-12,20-21,33H,2-4,13-19H2,1H3/p+1/b6-5+