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

Systemtic Name: 8-methyl-7-oxidanyl-4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-8-methyl-coumarin Formula: C22H26N2O3+2 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)O

InChI

InChI=1S/C22H24N2O3/c1-16-20(25)8-7-19-18(13-21(26)27-22(16)19)15-24-11-9-23(10-12-24)14-17-5-3-2-4-6-17/h2-8,13,25H,9-12,14-15H2,1H3/p+2