[4-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[1-(4-ethoxy-3-methylol-benzyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C26H35N2O4+ MolecularWeight: 439.5671

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCC4)CO

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCC4)CO

InChI

InChI=1S/C26H34N2O4/c1-2-31-25-10-5-20(17-22(25)19-29)18-27-15-11-24(12-16-27)32-23-8-6-21(7-9-23)26(30)28-13-3-4-14-28/h5-10,17,24,29H,2-4,11-16,18-19H2,1H3/p+1