[4-(benzotriazol-1-ylmethyl)phenyl]-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: [4-(1-benzotriazolylmethyl)phenyl]-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]methanone Formula: C23H23BrN5OS+ MolecularWeight: 497.43062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H22BrN5OS/c24-22-10-9-19(31-22)16-27-11-13-28(14-12-27)23(30)18-7-5-17(6-8-18)15-29-21-4-2-1-3-20(21)25-26-29/h1-10H,11-16H2/p+1