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

Systemtic Name: 6-ethyl-4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-ethyl-chromen-2-one CAS Name: 6-ethyl-4-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-ethylchromen-2-one Traditional Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-ethyl-coumarin Formula: C23H28N2O2+2 MolecularWeight: 364.48062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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