[(2R)-2-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]azanium

Systemtic Name: [(2R)-2-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-(4-methyl-1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]azanium Traditional Name: [(2R)-2-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]ammonium Formula: C16H27ClN2O2+2 MolecularWeight: 314.85078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(C[NH3+])[NH+]2CCC(CC2)C)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@H](C[NH3+])[NH+]2CCC(CC2)C)Cl)O

InChI

InChI=1S/C16H25ClN2O2/c1-3-21-15-9-12(8-13(17)16(15)20)14(10-18)19-6-4-11(2)5-7-19/h8-9,11,14,20H,3-7,10,18H2,1-2H3/p+2/t14-/m0/s1