[3-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-methyl-2-oxidanylidene-chromen-7-yl] ethanoate

Systemtic Name: [3-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-methyl-2-oxidanylidene-chromen-7-yl] ethanoate Openeye Name: [3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-methyl-2-oxo-chromen-7-yl] acetate CAS Name: acetic acid [3-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-4-methyl-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methyl-2-oxochromen-7-yl] acetate Traditional Name: acetic acid [3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-2-keto-4-methyl-chromen-7-yl] ester Formula: C31H31N2O5+ MolecularWeight: 511.58824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C)CC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C)CC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H30N2O5/c1-21-26-14-13-25(37-22(2)34)19-28(26)38-31(36)27(21)20-29(35)32-15-17-33(18-16-32)30(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,19,30H,15-18,20H2,1-2H3/p+1