[5-[1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-piperidin-1-yl-methanone

Systemtic Name: [5-[1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-piperidin-1-yl-methanone Openeye Name: [5-[1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]-(1-piperidyl)methanone CAS Name: [5-[1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-2-benzofuranyl]-(1-piperidinyl)methanone IUPAC Name: [5-[1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone Traditional Name: [5-[1-(3-ethoxy-4-methoxy-benzyl)-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]-piperidino-methanone Formula: C29H37N2O5+ MolecularWeight: 493.61448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCCCC5)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCCCC5)O)OC

InChI

InChI=1S/C29H36N2O5/c1-3-35-26-17-21(7-9-25(26)34-2)20-30-15-11-29(33,12-16-30)23-8-10-24-22(18-23)19-27(36-24)28(32)31-13-5-4-6-14-31/h7-10,17-19,33H,3-6,11-16,20H2,1-2H3/p+1