1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanone Formula: C19H28N5O2+ MolecularWeight: 358.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H27N5O2/c1-15-13-17(16(2)24(15)11-12-26-3)18(25)14-22-7-9-23(10-8-22)19-20-5-4-6-21-19/h4-6,13H,7-12,14H2,1-3H3/p+1