N-(4-bromophenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-bromophenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(4-bromophenyl)-4-(3-pyridylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(4-bromophenyl)-4-(3-pyridinylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-bromophenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(4-bromophenyl)-4-(3-pyridylmethyl)piperazin-4-ium-1-carboxamide Formula: C17H20BrN4O+ MolecularWeight: 376.2709

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H19BrN4O/c18-15-3-5-16(6-4-15)20-17(23)22-10-8-21(9-11-22)13-14-2-1-7-19-12-14/h1-7,12H,8-11,13H2,(H,20,23)/p+1