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

Systemtic Name: [3-chloranyl-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylazanium Openeye Name: [3-chloro-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylammonium CAS Name: [3-chloro-5-ethoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]methylammonium IUPAC Name: [3-chloro-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylazanium Traditional Name: [3-chloro-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzyl]ammonium Formula: C16H27ClN2O2+2 MolecularWeight: 314.85078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH3+])Cl)OCC[NH+]2CCCCC2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH3+])Cl)OCC[NH+]2CCCCC2

InChI

InChI=1S/C16H25ClN2O2/c1-2-20-15-11-13(12-18)10-14(17)16(15)21-9-8-19-6-4-3-5-7-19/h10-11H,2-9,12,18H2,1H3/p+2