(5-bromanyl-2-pyrrol-1-yl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (5-bromanyl-2-pyrrol-1-yl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (5-bromo-2-pyrrol-1-yl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [5-bromo-2-(1-pyrrolyl)phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (5-bromo-2-pyrrol-1-ylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (5-bromo-2-pyrrol-1-yl-phenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C20H20BrN4O+ MolecularWeight: 412.303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=C(C=CC(=C3)Br)N4C=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=C(C=CC(=C3)Br)N4C=CC=C4

InChI

InChI=1S/C20H19BrN4O/c21-16-6-7-18(23-9-3-4-10-23)17(15-16)20(26)25-13-11-24(12-14-25)19-5-1-2-8-22-19/h1-10,15H,11-14H2/p+1