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

Systemtic Name: 7,8-dimethyl-4-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[4-(2-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=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4C)C

InChI

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