N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[6-(dimethylamino)-4-methyl-pyrimidin-1-ium-2-yl]piperazine-1-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[6-(dimethylamino)-4-methyl-pyrimidin-1-ium-2-yl]piperazine-1-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[6-(dimethylamino)-4-methyl-pyrimidin-1-ium-2-yl]piperazine-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[6-(dimethylamino)-4-methyl-2-pyrimidin-1-iumyl]-1-piperazinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[6-(dimethylamino)-4-methylpyrimidin-1-ium-2-yl]piperazine-1-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[6-(dimethylamino)-4-methyl-pyrimidin-1-ium-2-yl]piperazine-1-carboxamide Formula: C20H27N6O3+ MolecularWeight: 399.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCCO4)N(C)C

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCCO4)N(C)C

InChI

InChI=1S/C20H26N6O3/c1-14-12-18(24(2)3)23-19(21-14)25-6-8-26(9-7-25)20(27)22-15-4-5-16-17(13-15)29-11-10-28-16/h4-5,12-13H,6-11H2,1-3H3,(H,22,27)/p+1