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

Systemtic Name: 7-methyl-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-methyl-chromen-2-one CAS Name: 7-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-methylchromen-2-one Traditional Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7-methyl-coumarin Formula: C22H26N2O2+2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N2O2/c1-17-7-8-20-19(14-22(25)26-21(20)13-17)16-24-11-9-23(10-12-24)15-18-5-3-2-4-6-18/h2-8,13-14H,9-12,15-16H2,1H3/p+2