(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C18H22N5O3+ MolecularWeight: 356.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H21N5O3/c1-13(17(24)21-14-3-4-15-16(11-14)26-12-25-15)22-7-9-23(10-8-22)18-19-5-2-6-20-18/h2-6,11,13H,7-10,12H2,1H3,(H,21,24)/p+1/t13-/m1/s1