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

Systemtic Name: 7,8-dimethyl-4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7,8-dimethyl-chromen-2-one CAS Name: 7,8-dimethyl-4-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7,8-dimethyl-coumarin Formula: C23H28N2O2+2 MolecularWeight: 364.48062

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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=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H26N2O2/c1-17-8-9-21-20(14-22(26)27-23(21)18(17)2)16-25-12-10-24(11-13-25)15-19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3/p+2