1-(1,3-benzodioxol-5-yl)-3-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)urea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(6-pyrrolidinopyridin-1-ium-3-yl)urea Formula: C17H19N4O3+ MolecularWeight: 327.35776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H18N4O3/c22-17(19-12-3-5-14-15(9-12)24-11-23-14)20-13-4-6-16(18-10-13)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8,11H2,(H2,19,20,22)/p+1