N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]propionamide Formula: C23H32N5O3+ MolecularWeight: 426.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O3/c1-16(2)23-24-17(3)14-21(26-23)28-10-8-27(9-11-28)7-6-22(29)25-18-4-5-19-20(15-18)31-13-12-30-19/h4-5,14-16H,6-13H2,1-3H3,(H,25,29)/p+1