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

Systemtic Name: ethyl-[[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]azanium Openeye Name: ethyl-[[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]ammonium CAS Name: ethyl-[[3-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]methyl]ammonium IUPAC Name: ethyl-[[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]azanium Traditional Name: ethyl-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzyl]ammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC1=CC(=C(C=C1)OCC[NH+]2CCCC2)OC

Isomeric SMILES

CC[NH2+]CC1=CC(=C(C=C1)OCC[NH+]2CCCC2)OC

InChI

InChI=1S/C16H26N2O2/c1-3-17-13-14-6-7-15(16(12-14)19-2)20-11-10-18-8-4-5-9-18/h6-7,12,17H,3-5,8-11,13H2,1-2H3/p+2