N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(5-propyl-2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)N2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCCC1=CN=C(N=C1)N2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H27N5O3/c1-2-3-16-13-22-21(23-14-16)26-8-6-25(7-9-26)15-20(27)24-17-4-5-18-19(12-17)29-11-10-28-18/h4-5,12-14H,2-3,6-11,15H2,1H3,(H,24,27)/p+1