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

Systemtic Name: [(2R)-2-(3-ethoxy-4-oxidanyl-phenyl)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethyl]azanium Openeye Name: [(2R)-2-(3-ethoxy-4-hydroxy-phenyl)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethyl]ammonium CAS Name: [(2R)-2-(3-ethoxy-4-hydroxyphenyl)-2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]ethyl]ammonium IUPAC Name: [(2R)-2-(3-ethoxy-4-hydroxyphenyl)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethyl]azanium Traditional Name: [(2R)-2-(3-ethoxy-4-hydroxy-phenyl)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethyl]ammonium Formula: C17H31N3O2+2 MolecularWeight: 309.44694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C[NH3+])N(C)C2CC[NH+](CC2)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H](C[NH3+])N(C)C2CC[NH+](CC2)C)O

InChI

InChI=1S/C17H29N3O2/c1-4-22-17-11-13(5-6-16(17)21)15(12-18)20(3)14-7-9-19(2)10-8-14/h5-6,11,14-15,21H,4,7-10,12,18H2,1-3H3/p+2/t15-/m0/s1