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

Systemtic Name: [(2R)-2-(5-chloranyl-2-ethoxy-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(5-chloro-2-ethoxy-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-(5-chloro-2-ethoxyphenyl)-2-[(3R)-3-methyl-1-piperidin-1-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(5-chloro-2-ethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(5-chloro-2-ethoxy-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]ammonium Formula: C16H27ClN2O+2 MolecularWeight: 298.85138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)C(C[NH3+])[NH+]2CCCC(C2)C

Isomeric SMILES

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

InChI

InChI=1S/C16H25ClN2O/c1-3-20-16-7-6-13(17)9-14(16)15(10-18)19-8-4-5-12(2)11-19/h6-7,9,12,15H,3-5,8,10-11,18H2,1-2H3/p+2/t12-,15+/m1/s1