7-oxidanyl-4-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 7-oxidanyl-4-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 7-hydroxy-4-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 7-hydroxy-4-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 7-hydroxy-4-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C14H16NO3+ MolecularWeight: 246.28174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

C1CC[NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C14H15NO3/c16-11-3-4-12-10(9-15-5-1-2-6-15)7-14(17)18-13(12)8-11/h3-4,7-8,16H,1-2,5-6,9H2/p+1