6-chloranyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-7-hydroxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-chloro-7-hydroxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]coumarin Formula: C15H18ClN2O3+ MolecularWeight: 309.76802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)O

InChI

InChI=1S/C15H17ClN2O3/c1-17-2-4-18(5-3-17)9-10-6-15(20)21-14-8-13(19)12(16)7-11(10)14/h6-8,19H,2-5,9H2,1H3/p+1