dimethyl-[2-[3-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-1-ium-4-yl]propanoylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[3-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-1-ium-4-yl]propanoylamino]ethyl]azanium Openeye Name: dimethyl-[2-[3-[1-[(1R)-1-methyl-2-phenoxy-ethyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[1-oxo-3-[1-[(2R)-1-phenoxypropan-2-yl]-4-piperidin-1-iumyl]propyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[3-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-1-ium-4-yl]propanoylamino]ethyl]azanium Traditional Name: dimethyl-[2-[3-[1-[(1R)-1-methyl-2-phenoxy-ethyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]ammonium Formula: C21H37N3O2+2 MolecularWeight: 363.53738

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC=C1)[NH+]2CCC(CC2)CCC(=O)NCC[NH+](C)C

Isomeric SMILES

C[C@H](COC1=CC=CC=C1)[NH+]2CCC(CC2)CCC(=O)NCC[NH+](C)C

InChI

InChI=1S/C21H35N3O2/c1-18(17-26-20-7-5-4-6-8-20)24-14-11-19(12-15-24)9-10-21(25)22-13-16-23(2)3/h4-8,18-19H,9-17H2,1-3H3,(H,22,25)/p+2/t18-/m1/s1