6,7-dimethyl-4-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]coumarin Formula: C24H30N2O2+2 MolecularWeight: 378.5072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=O)OC4=CC(=C(C=C34)C)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=O)OC4=CC(=C(C=C34)C)C

InChI

InChI=1S/C24H28N2O2/c1-17-5-4-6-20(11-17)15-25-7-9-26(10-8-25)16-21-14-24(27)28-23-13-19(3)18(2)12-22(21)23/h4-6,11-14H,7-10,15-16H2,1-3H3/p+2