[3-chloranyl-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylazanium

Systemtic Name: [3-chloranyl-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylazanium Openeye Name: [3-chloro-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylammonium CAS Name: [3-chloro-5-ethoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]methylammonium IUPAC Name: [3-chloro-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylazanium Traditional Name: [3-chloro-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzyl]ammonium Formula: C15H25ClN2O2+2 MolecularWeight: 300.8242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH3+])Cl)OCC[NH+]2CCCC2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH3+])Cl)OCC[NH+]2CCCC2

InChI

InChI=1S/C15H23ClN2O2/c1-2-19-14-10-12(11-17)9-13(16)15(14)20-8-7-18-5-3-4-6-18/h9-10H,2-8,11,17H2,1H3/p+2