N-(4-bromanyl-2-chloranyl-phenyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-(2-pyridylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-(2-pyridinylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-(2-pyridylmethyl)piperazin-4-ium-1-carboxamide Formula: C17H19BrClN4O+ MolecularWeight: 410.71596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)C(=O)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)C(=O)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C17H18BrClN4O/c18-13-4-5-16(15(19)11-13)21-17(24)23-9-7-22(8-10-23)12-14-3-1-2-6-20-14/h1-6,11H,7-10,12H2,(H,21,24)/p+1