[5-[1-[(2,4-dimethylphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-piperidin-1-yl-methanone

Systemtic Name: [5-[1-[(2,4-dimethylphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-piperidin-1-yl-methanone Openeye Name: [5-[1-[(2,4-dimethylphenyl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]-(1-piperidyl)methanone CAS Name: [5-[1-[(2,4-dimethylphenyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-2-benzofuranyl]-(1-piperidinyl)methanone IUPAC Name: [5-[1-[(2,4-dimethylphenyl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone Traditional Name: [5-[1-(2,4-dimethylbenzyl)-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]-piperidino-methanone Formula: C28H35N2O3+ MolecularWeight: 447.5891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCCCC5)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCCCC5)O)C

InChI

InChI=1S/C28H34N2O3/c1-20-6-7-22(21(2)16-20)19-29-14-10-28(32,11-15-29)24-8-9-25-23(17-24)18-26(33-25)27(31)30-12-4-3-5-13-30/h6-9,16-18,32H,3-5,10-15,19H2,1-2H3/p+1