cyclopentyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium

Systemtic Name: cyclopentyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium Openeye Name: cyclopentyl-[[4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: cyclopentyl-[[4-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: cyclopentyl-[[4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: cyclopentyl-[4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-benzyl]ammonium Formula: C21H36N2O4+2 MolecularWeight: 380.52154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2CCCC2)OCC(C[NH+]3CCC(CC3)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2CCCC2)OC[C@@H](C[NH+]3CCC(CC3)O)O

InChI

InChI=1S/C21H34N2O4/c1-26-21-12-16(13-22-17-4-2-3-5-17)6-7-20(21)27-15-19(25)14-23-10-8-18(24)9-11-23/h6-7,12,17-19,22,24-25H,2-5,8-11,13-15H2,1H3/p+2/t19-/m1/s1