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

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-6-methoxy-chromen-2-one Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-6-methoxy-chromen-2-one CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-6-methoxy-1-benzopyran-2-one IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-6-methoxychromen-2-one Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-6-methoxy-coumarin Formula: C28H27N2O4+ MolecularWeight: 455.52498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

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