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

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3/c23-19(18-14-24-16-3-1-2-4-17(16)25-18)22-11-9-21(10-12-22)13-15-5-7-20-8-6-15/h1-8,18H,9-14H2/p+1/t18-/m0/s1