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

Systemtic Name: 8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-4-propyl-chromen-2-one Openeye Name: 7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-propyl-chromen-2-one CAS Name: 7-hydroxy-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-4-propyl-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-propylchromen-2-one Traditional Name: 7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-propyl-coumarin Formula: C18H26N2O3+2 MolecularWeight: 318.41064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CC[NH+](CC3)C)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CC[NH+](CC3)C)O

InChI

InChI=1S/C18H24N2O3/c1-3-4-13-11-17(22)23-18-14(13)5-6-16(21)15(18)12-20-9-7-19(2)8-10-20/h5-6,11,21H,3-4,7-10,12H2,1-2H3/p+2