6-chloranyl-7-methyl-4-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[(4-thiazol-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[4-(2-thiazolyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[(4-thiazol-2-ylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C18H19ClN3O2S+ MolecularWeight: 376.88036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=NC=CS4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=NC=CS4)Cl

InChI

InChI=1S/C18H18ClN3O2S/c1-12-8-16-14(10-15(12)19)13(9-17(23)24-16)11-21-3-5-22(6-4-21)18-20-2-7-25-18/h2,7-10H,3-6,11H2,1H3/p+1