6-[4-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide

Systemtic Name: 6-[4-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide Openeye Name: 6-[4-[2-(2-bromoanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide CAS Name: 6-[4-[2-(2-bromoanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-3-pyridinecarboxamide IUPAC Name: 6-[4-[2-(2-bromoanilino)-2-oxoethyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide Traditional Name: 6-[4-[2-(2-bromoanilino)-2-keto-ethyl]piperazin-4-ium-1-yl]nicotinamide Formula: C18H21BrN5O2+ MolecularWeight: 419.29564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Br)C3=NC=C(C=C3)C(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Br)C3=NC=C(C=C3)C(=O)N

InChI

InChI=1S/C18H20BrN5O2/c19-14-3-1-2-4-15(14)22-17(25)12-23-7-9-24(10-8-23)16-6-5-13(11-21-16)18(20)26/h1-6,11H,7-10,12H2,(H2,20,26)(H,22,25)/p+1