4-[(5-bromanylthiophen-2-yl)methyl]-N-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-bromanylthiophen-2-yl)methyl]-N-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-bromo-2-thienyl)methyl]-N-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-bromo-2-thiophenyl)methyl]-N-[(3-chlorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-bromothiophen-2-yl)methyl]-N-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[(5-bromo-2-thienyl)methyl]-N-(3-chlorobenzyl)piperazin-4-ium-1-carboxamide Formula: C17H20BrClN3OS+ MolecularWeight: 429.7822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H19BrClN3OS/c18-16-5-4-15(24-16)12-21-6-8-22(9-7-21)17(23)20-11-13-2-1-3-14(19)10-13/h1-5,10H,6-9,11-12H2,(H,20,23)/p+1