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

Systemtic Name: 6-bromanyl-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-chromen-2-one Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-6-bromo-chromen-2-one CAS Name: 6-bromo-3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-6-bromochromen-2-one Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-6-bromo-coumarin Formula: C27H24BrN2O3+ MolecularWeight: 504.39506

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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=CC5=C(C=CC(=C5)Br)OC4=O

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC5=C(C=CC(=C5)Br)OC4=O

InChI

InChI=1S/C27H23BrN2O3/c28-22-11-12-24-21(17-22)18-23(27(32)33-24)26(31)30-15-13-29(14-16-30)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18,25H,13-16H2/p+1