N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN(C[C@H]1COC2=CC=CC=C2O1)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3/c1-23(15-19-17-27-20-9-5-6-10-21(20)28-19)22(26)16-24-11-13-25(14-12-24)18-7-3-2-4-8-18/h2-10,19H,11-17H2,1H3/p+1/t19-/m0/s1