2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylchromen-4-one

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylchromen-4-one Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)chromen-4-one CAS Name: 2-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-benzopyran-4-one IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)chromen-4-one Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)chromone Formula: C27H25N2O3+ MolecularWeight: 425.499

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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(=O)C5=CC=CC=C5O4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC(=O)C5=CC=CC=C5O4

InChI

InChI=1S/C27H24N2O3/c30-23-19-25(32-24-14-8-7-13-22(23)24)27(31)29-17-15-28(16-18-29)26(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,19,26H,15-18H2/p+1