2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanone CAS Name: 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanone Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H24N2O3/c24-21(14-18-16-25-19-8-4-5-9-20(19)26-18)23-12-10-22(11-13-23)15-17-6-2-1-3-7-17/h1-9,18H,10-16H2/p+1/t18-/m0/s1