4-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-7-methyl-chromen-2-one CAS Name: 4-[[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-7-methylchromen-2-one Traditional Name: 4-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-7-methyl-coumarin Formula: C28H30N2O2+2 MolecularWeight: 426.55

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N2O2/c1-21-12-13-25-24(19-27(31)32-26(25)18-21)20-29-14-16-30(17-15-29)28(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-13,18-19,28H,14-17,20H2,1H3/p+2