[(2R)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(2R)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [(2R)-3-(4-cyanophenoxy)-2-hydroxy-propyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [(2R)-3-(4-cyanophenoxy)-2-hydroxypropyl]-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(2R)-3-(4-cyanophenoxy)-2-hydroxypropyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [(2R)-3-(4-cyanophenoxy)-2-hydroxy-propyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C17H27N3O2+2 MolecularWeight: 305.41518

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)C[C@H](COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C17H25N3O2/c1-19-9-7-15(8-10-19)20(2)12-16(21)13-22-17-5-3-14(11-18)4-6-17/h3-6,15-16,21H,7-10,12-13H2,1-2H3/p+2/t16-/m1/s1