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

Systemtic Name: ethyl-[[4-methoxy-2-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[[2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[[2-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[[2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-(4-pyridylmethyl)ammonium Formula: C23H35N3O3+2 MolecularWeight: 401.5423

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)CC2=C(C=C(C=C2)OC)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)CC2=C(C=C(C=C2)OC)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C23H33N3O3/c1-3-25(15-19-8-10-24-11-9-19)16-20-6-7-22(28-2)14-23(20)29-18-21(27)17-26-12-4-5-13-26/h6-11,14,21,27H,3-5,12-13,15-18H2,1-2H3/p+2/t21-/m1/s1