N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C1=CC2=C(C=C1)OCCO2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3/c1-17(18-7-8-20-21(15-18)28-14-13-27-20)23-22(26)16-24-9-11-25(12-10-24)19-5-3-2-4-6-19/h2-8,15,17H,9-14,16H2,1H3,(H,23,26)/p+1/t17-/m1/s1