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

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C18H19N3O3/c22-18(16-13-23-14-5-1-2-6-15(14)24-16)21-11-9-20(10-12-21)17-7-3-4-8-19-17/h1-8,16H,9-13H2/p+1/t16-/m0/s1