4-ethyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4-ethyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-ethyl-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-ethyl-7-hydroxy-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-ethyl-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-ethyl-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C17H22NO3+ MolecularWeight: 288.36148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)O

InChI

InChI=1S/C17H21NO3/c1-2-12-10-16(20)21-17-13(12)6-7-15(19)14(17)11-18-8-4-3-5-9-18/h6-7,10,19H,2-5,8-9,11H2,1H3/p+1