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

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone Formula: C20H23N2O3+ MolecularWeight: 339.40822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3/c23-20(19-15-24-17-8-4-5-9-18(17)25-19)22-12-10-21(11-13-22)14-16-6-2-1-3-7-16/h1-9,19H,10-15H2/p+1/t19-/m0/s1