2-hydroxyethyl-[[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]azanium

Systemtic Name: 2-hydroxyethyl-[[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]azanium Openeye Name: 2-hydroxyethyl-[[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]ammonium CAS Name: 2-hydroxyethyl-[[3-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]methyl]ammonium IUPAC Name: 2-hydroxyethyl-[[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]azanium Traditional Name: 2-hydroxyethyl-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzyl]ammonium Formula: C16H28N2O3+2 MolecularWeight: 296.40512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCO)OCC[NH+]2CCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCO)OCC[NH+]2CCCC2

InChI

InChI=1S/C16H26N2O3/c1-20-16-12-14(13-17-6-10-19)4-5-15(16)21-11-9-18-7-2-3-8-18/h4-5,12,17,19H,2-3,6-11,13H2,1H3/p+2