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

Systemtic Name: 1H-indol-4-ylmethyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium Openeye Name: [4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-phenyl]methyl-(1H-indol-4-ylmethyl)ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl-(1H-indol-4-ylmethyl)ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxyphenyl]methyl-(1H-indol-4-ylmethyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-benzyl]-(1H-indol-4-ylmethyl)ammonium Formula: C25H35N3O4+2 MolecularWeight: 441.5631

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=C3C=CNC3=CC=C2)OCC(C[NH+]4CCC(CC4)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=C3C=CNC3=CC=C2)OC[C@@H](C[NH+]4CCC(CC4)O)O

InChI

InChI=1S/C25H33N3O4/c1-31-25-13-18(14-26-15-19-3-2-4-23-22(19)7-10-27-23)5-6-24(25)32-17-21(30)16-28-11-8-20(29)9-12-28/h2-7,10,13,20-21,26-27,29-30H,8-9,11-12,14-17H2,1H3/p+2/t21-/m1/s1