3-bromanyl-5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyran-2-one

Systemtic Name: 3-bromanyl-5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyran-2-one Openeye Name: 5-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-3-bromo-pyran-2-one CAS Name: 3-bromo-5-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-pyranone IUPAC Name: 5-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-3-bromopyran-2-one Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-3-bromo-pyran-2-one Formula: C23H22BrN2O3+ MolecularWeight: 454.33638

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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=COC(=O)C(=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN2O3/c24-20-15-19(16-29-23(20)28)22(27)26-13-11-25(12-14-26)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16,21H,11-14H2/p+1