(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-pyridin-1-ium-4-ylpiperazino)prop-2-en-1-one Formula: C19H19N4O5+ MolecularWeight: 383.37796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C19H18N4O5/c24-19(22-9-7-21(8-10-22)15-3-5-20-6-4-15)2-1-14-11-17-18(28-13-27-17)12-16(14)23(25)26/h1-6,11-12H,7-10,13H2/p+1/b2-1+