[4-[1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-[1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone Openeye Name: [4-[1-[(2-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-(1-piperidyl)methanone CAS Name: [4-[[1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [4-[1-(2-hydroxy-3-methoxy-benzyl)piperidin-1-ium-4-yl]oxyphenyl]-piperidino-methanone Formula: C25H33N2O4+ MolecularWeight: 425.54052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C25H32N2O4/c1-30-23-7-5-6-20(24(23)28)18-26-16-12-22(13-17-26)31-21-10-8-19(9-11-21)25(29)27-14-3-2-4-15-27/h5-11,22,28H,2-4,12-18H2,1H3/p+1