3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-8-methoxy-chromen-2-one

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-8-methoxy-chromen-2-one Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-8-methoxy-chromen-2-one CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-8-methoxy-1-benzopyran-2-one IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-8-methoxychromen-2-one Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-8-methoxy-coumarin Formula: C28H27N2O4+ MolecularWeight: 455.52498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H26N2O4/c1-33-24-14-8-13-22-19-23(28(32)34-26(22)24)27(31)30-17-15-29(16-18-30)25(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,19,25H,15-18H2,1H3/p+1