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

Systemtic Name: [(2R)-2-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-2-piperidin-1-ium-1-yl-ethyl]azanium Openeye Name: [(2R)-2-(3-chloro-4-ethoxy-5-methoxy-phenyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2R)-2-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]azanium Traditional Name: [(2R)-2-(3-chloro-4-ethoxy-5-methoxy-phenyl)-2-piperidin-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=C(C=C1Cl)C(C[NH3+])[NH+]2CCCCC2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)[C@H](C[NH3+])[NH+]2CCCCC2)OC

InChI

InChI=1S/C16H25ClN2O2/c1-3-21-16-13(17)9-12(10-15(16)20-2)14(11-18)19-7-5-4-6-8-19/h9-10,14H,3-8,11,18H2,1-2H3/p+2/t14-/m0/s1