3-bromanyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: 3-bromo-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: 3-bromo-N-[2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]benzamide IUPAC Name: 3-bromo-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: 3-bromo-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C18H23BrN4O+2 MolecularWeight: 391.30542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C2=CC(=CC=C2)Br)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C2=CC(=CC=C2)Br)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H21BrN4O/c19-16-5-3-4-15(14-16)18(24)21-8-9-22-10-12-23(13-11-22)17-6-1-2-7-20-17/h1-7,14H,8-13H2,(H,21,24)/p+2