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

Systemtic Name: 4-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-7-methyl-chromen-2-one Openeye Name: 4-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-7-methyl-chromen-2-one CAS Name: 4-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-7-methylchromen-2-one Traditional Name: 4-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-7-methyl-coumarin Formula: C29H29N2O3+ MolecularWeight: 453.55216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H28N2O3/c1-21-12-13-25-24(20-28(33)34-26(25)18-21)19-27(32)30-14-16-31(17-15-30)29(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-13,18,20,29H,14-17,19H2,1H3/p+1