2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(pyrimidin-4-ylmethyl)ethanamide

Systemtic Name: 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(pyrimidin-4-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-indan-2-yl-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(pyrimidin-4-ylmethyl)acetamide CAS Name: 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(4-pyrimidinylmethyl)acetamide IUPAC Name: 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(pyrimidin-4-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-indan-2-yl-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(4-pyrimidylmethyl)acetamide Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC=NC=C1)C(=O)CC2C(=O)NCC[NH+]2C3CC4=CC=CC=C4C3

Isomeric SMILES

CN(CC1=NC=NC=C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2C3CC4=CC=CC=C4C3

InChI

InChI=1S/C21H25N5O2/c1-25(13-17-6-7-22-14-24-17)20(27)12-19-21(28)23-8-9-26(19)18-10-15-4-2-3-5-16(15)11-18/h2-7,14,18-19H,8-13H2,1H3,(H,23,28)/p+1/t19-/m1/s1