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

Systemtic Name: 3-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-7-methoxy-4-methyl-chromen-2-one Openeye Name: 3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-7-methoxy-4-methyl-chromen-2-one CAS Name: 3-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-7-methoxy-4-methyl-1-benzopyran-2-one IUPAC Name: 3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-7-methoxy-4-methylchromen-2-one Traditional Name: 3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-7-methoxy-4-methyl-coumarin Formula: C30H31N2O4+ MolecularWeight: 483.57814

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H30N2O4/c1-21-25-14-13-24(35-2)19-27(25)36-30(34)26(21)20-28(33)31-15-17-32(18-16-31)29(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19,29H,15-18,20H2,1-2H3/p+1