(5-bromanylpyridin-3-yl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-bromo-3-pyridyl)methanone CAS Name: (5-bromo-3-pyridinyl)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-bromopyridin-3-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-bromo-3-pyridyl)methanone Formula: C23H23BrN3O+ MolecularWeight: 437.35222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C23H22BrN3O/c24-21-15-20(16-25-17-21)23(28)27-13-11-26(12-14-27)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,15-17,22H,11-14H2/p+1