[4-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-3-methoxy-phenyl]-[(3S)-3-oxidanylpiperidin-1-yl]methanone

Systemtic Name: [4-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-3-methoxy-phenyl]-[(3S)-3-oxidanylpiperidin-1-yl]methanone Openeye Name: [4-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-3-methoxy-phenyl]-[(3S)-3-hydroxy-1-piperidyl]methanone CAS Name: [4-[(1-cyclopentyl-4-piperidin-1-iumyl)oxy]-3-methoxyphenyl]-[(3S)-3-hydroxy-1-piperidinyl]methanone IUPAC Name: [4-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-3-methoxyphenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone Traditional Name: [4-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-3-methoxy-phenyl]-[(3S)-3-hydroxypiperidino]methanone Formula: C23H35N2O4+ MolecularWeight: 403.535

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCCC(C2)O)OC3CC[NH+](CC3)C4CCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCC[C@@H](C2)O)OC3CC[NH+](CC3)C4CCCC4

InChI

InChI=1S/C23H34N2O4/c1-28-22-15-17(23(27)25-12-4-7-19(26)16-25)8-9-21(22)29-20-10-13-24(14-11-20)18-5-2-3-6-18/h8-9,15,18-20,26H,2-7,10-14,16H2,1H3/p+1/t19-/m0/s1