3-[2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4,7-dimethyl-5-oxidanyl-chromen-2-one

Systemtic Name: 3-[2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4,7-dimethyl-5-oxidanyl-chromen-2-one Openeye Name: 3-[2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-5-hydroxy-4,7-dimethyl-chromen-2-one CAS Name: 3-[2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-5-hydroxy-4,7-dimethyl-1-benzopyran-2-one IUPAC Name: 3-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-5-hydroxy-4,7-dimethylchromen-2-one Traditional Name: 3-[2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-5-hydroxy-4,7-dimethyl-coumarin Formula: C25H34N3O5+ MolecularWeight: 456.55456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4)C)C(=C1)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4)C)C(=C1)O

InChI

InChI=1S/C25H33N3O5/c1-17-13-20(29)24-18(2)19(25(32)33-21(24)14-17)15-22(30)28-11-9-26(10-12-28)16-23(31)27-7-5-3-4-6-8-27/h13-14,29H,3-12,15-16H2,1-2H3/p+1