N-(2-bromophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide

Systemtic Name: N-(2-bromophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Openeye Name: N-(2-bromophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide CAS Name: N-(2-bromophenyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-(2-bromophenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carboxamide Traditional Name: N-(2-bromophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Formula: C16H18BrN4O+ MolecularWeight: 362.24432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)NC3=CC=CC=C3Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C16H17BrN4O/c17-13-5-1-2-6-14(13)19-16(22)21-11-9-20(10-12-21)15-7-3-4-8-18-15/h1-8H,9-12H2,(H,19,22)/p+1