cyclopentyl-[[3-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: cyclopentyl-[[3-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: cyclopentyl-[[3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]ammonium CAS Name: cyclopentyl-[[3-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: cyclopentyl-[[3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium Traditional Name: [3-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-cyclopentyl-ammonium Formula: C22H36N2O4+2 MolecularWeight: 392.53224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(COC2=CC=CC(=C2)C[NH2+]C3CCCC3)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C[C@@H](COC2=CC=CC(=C2)C[NH2+]C3CCCC3)O

InChI

InChI=1S/C22H34N2O4/c1-27-22(26)18-9-11-24(12-10-18)15-20(25)16-28-21-8-4-5-17(13-21)14-23-19-6-2-3-7-19/h4-5,8,13,18-20,23,25H,2-3,6-7,9-12,14-16H2,1H3/p+2/t20-/m0/s1