6-chloranyl-3-ethyl-4-methyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 6-chloranyl-3-ethyl-4-methyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 6-chloro-3-ethyl-7-hydroxy-4-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 6-chloro-3-ethyl-7-hydroxy-4-methyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 6-chloro-3-ethyl-7-hydroxy-4-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 6-chloro-3-ethyl-7-hydroxy-4-methyl-8-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C18H23ClNO3+ MolecularWeight: 336.83312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC(=C(C(=C2OC1=O)C[NH+]3CCCCC3)O)Cl)C

Isomeric SMILES

CCC1=C(C2=CC(=C(C(=C2OC1=O)C[NH+]3CCCCC3)O)Cl)C

InChI

InChI=1S/C18H22ClNO3/c1-3-12-11(2)13-9-15(19)16(21)14(17(13)23-18(12)22)10-20-7-5-4-6-8-20/h9,21H,3-8,10H2,1-2H3/p+1