N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C19H24N5O3+ MolecularWeight: 370.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@H](C1=CC2=C(C=C1)OCO2)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H23N5O3/c1-14(15-3-4-16-17(11-15)27-13-26-16)22-18(25)12-23-7-9-24(10-8-23)19-20-5-2-6-21-19/h2-6,11,14H,7-10,12-13H2,1H3,(H,22,25)/p+1/t14-/m1/s1