1-(1,3-benzodioxol-5-yl)-3-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[[6-(4-methyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[[6-(4-methylpiperazino)pyridin-1-ium-3-yl]methyl]urea Formula: C19H24N5O3+ MolecularWeight: 370.42556

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=[NH+]C=C(C=C2)CNC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1CCN(CC1)C2=[NH+]C=C(C=C2)CNC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H23N5O3/c1-23-6-8-24(9-7-23)18-5-2-14(11-20-18)12-21-19(25)22-15-3-4-16-17(10-15)27-13-26-16/h2-5,10-11H,6-9,12-13H2,1H3,(H2,21,22,25)/p+1