[2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-phenyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

Systemtic Name: [2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-phenyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone Openeye Name: [2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-phenyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone CAS Name: [2-[(1-cyclopentyl-4-piperidin-1-iumyl)oxy]-5-methoxyphenyl]-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]methanone IUPAC Name: [2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxyphenyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone Traditional Name: [2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-phenyl]-[(2S)-2-methylolpyrrolidino]methanone Formula: C23H35N2O4+ MolecularWeight: 403.535

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC2CC[NH+](CC2)C3CCCC3)C(=O)N4CCCC4CO

Isomeric SMILES

COC1=CC(=C(C=C1)OC2CC[NH+](CC2)C3CCCC3)C(=O)N4CCC[C@H]4CO

InChI

InChI=1S/C23H34N2O4/c1-28-20-8-9-22(21(15-20)23(27)25-12-4-7-18(25)16-26)29-19-10-13-24(14-11-19)17-5-2-3-6-17/h8-9,15,17-19,26H,2-7,10-14,16H2,1H3/p+1/t18-/m0/s1