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

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-(3-pyridylmethyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-(3-pyridylmethyl)ammonium Formula: C21H31N3O3+2 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CC2=CN=CC=C2)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CC2=CN=CC=C2)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C21H29N3O3/c1-26-20-7-6-17(12-23-14-18-5-4-8-22-13-18)11-21(20)27-16-19(25)15-24-9-2-3-10-24/h4-8,11,13,19,23,25H,2-3,9-10,12,14-16H2,1H3/p+2/t19-/m1/s1