3-methyl-2-phenyl-8-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one

Systemtic Name: 3-methyl-2-phenyl-8-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one Openeye Name: 8-(4-benzylpiperazin-4-ium-1-carbonyl)-3-methyl-2-phenyl-chromen-4-one CAS Name: 3-methyl-8-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2-phenyl-1-benzopyran-4-one IUPAC Name: 8-(4-benzylpiperazin-4-ium-1-carbonyl)-3-methyl-2-phenylchromen-4-one Traditional Name: 8-(4-benzylpiperazin-4-ium-1-carbonyl)-3-methyl-2-phenyl-chromone Formula: C28H27N2O3+ MolecularWeight: 439.52558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H26N2O3/c1-20-25(31)23-13-8-14-24(27(23)33-26(20)22-11-6-3-7-12-22)28(32)30-17-15-29(16-18-30)19-21-9-4-2-5-10-21/h2-14H,15-19H2,1H3/p+1