6-ethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-4-phenyl-chromen-2-one

Systemtic Name: 6-ethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-4-phenyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-phenyl-chromen-2-one CAS Name: 6-ethyl-7-hydroxy-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-4-phenyl-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-phenylchromen-2-one Traditional Name: 6-ethyl-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-phenyl-coumarin Formula: C23H28N2O3+2 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)C[NH+]4CC[NH+](CC4)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)C[NH+]4CC[NH+](CC4)C)O

InChI

InChI=1S/C23H26N2O3/c1-3-16-13-19-18(17-7-5-4-6-8-17)14-21(26)28-23(19)20(22(16)27)15-25-11-9-24(2)10-12-25/h4-8,13-14,27H,3,9-12,15H2,1-2H3/p+2