[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C23H42N3O3+3 MolecularWeight: 408.59788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCC[NH+]2CCCC2)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCC[NH+]2CCCC2)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C23H39N3O3/c1-28-22-9-8-20(17-24-10-7-15-25-11-5-6-12-25)16-23(22)29-19-21(27)18-26-13-3-2-4-14-26/h8-9,16,21,24,27H,2-7,10-15,17-19H2,1H3/p+3/t21-/m1/s1