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

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]methanone Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]methanone CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(3-nitro-2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]methanone Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(3-nitropyridin-1-ium-2-yl)piperazino]methanone Formula: C18H19N4O5+ MolecularWeight: 371.36726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5/c23-18(16-12-26-14-5-1-2-6-15(14)27-16)21-10-8-20(9-11-21)17-13(22(24)25)4-3-7-19-17/h1-7,16H,8-12H2/p+1/t16-/m0/s1