5-(phenylcarbonyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile

Systemtic Name: 5-(phenylcarbonyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile Openeye Name: 5-benzoyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile CAS Name: 5-benzoyl-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1H-pyrrole-3-carbonitrile IUPAC Name: 5-benzoyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile Traditional Name: 5-benzoyl-2-(4-pyridin-1-ium-2-ylpiperazino)-1H-pyrrole-3-carbonitrile Formula: C21H20N5O+ MolecularWeight: 358.4164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=C(N3)C(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=C(N3)C(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C21H19N5O/c22-15-17-14-18(20(27)16-6-2-1-3-7-16)24-21(17)26-12-10-25(11-13-26)19-8-4-5-9-23-19/h1-9,14,24H,10-13H2/p+1