[5-chloranyl-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl-(2-hydroxyethyl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2)Cl)C[NH2+]CCO

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2)Cl)C[NH2+]CCO

InChI

InChI=1S/C16H25ClN2O2/c17-15-4-5-16(14(12-15)13-18-6-10-20)21-11-9-19-7-2-1-3-8-19/h4-5,12,18,20H,1-3,6-11,13H2/p+2