2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(2-pyrrol-1-ylphenyl)ethanamide

Systemtic Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(2-pyrrol-1-ylphenyl)ethanamide Openeye Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(2-pyrrol-1-ylphenyl)acetamide CAS Name: 2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-N-[2-(1-pyrrolyl)phenyl]acetamide IUPAC Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(2-pyrrol-1-ylphenyl)acetamide Traditional Name: 2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]-N-(2-pyrrol-1-ylphenyl)acetamide Formula: C20H23N6O+ MolecularWeight: 363.43622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2N3C=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2N3C=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C20H22N6O/c27-19(23-17-6-1-2-7-18(17)25-10-3-4-11-25)16-24-12-14-26(15-13-24)20-21-8-5-9-22-20/h1-11H,12-16H2,(H,23,27)/p+1