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

Systemtic Name: [(2R)-2-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-[(3R)-3-methyl-1-piperidin-1-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-[(3R)-3-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+]2CCCC(C2)C)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@H](C[NH3+])[NH+]2CCC[C@H](C2)C)Cl)O

InChI

InChI=1S/C16H25ClN2O2/c1-3-21-15-8-12(7-13(17)16(15)20)14(9-18)19-6-4-5-11(2)10-19/h7-8,11,14,20H,3-6,9-10,18H2,1-2H3/p+2/t11-,14+/m1/s1