4-(diethylamino)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4-(diethylamino)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-(diethylamino)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-(diethylamino)-3-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-(diethylamino)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-(diethylamino)-3-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C18H25N2O2+ MolecularWeight: 301.4033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C(=O)OC2=CC=CC=C21)C[NH+]3CCCC3

Isomeric SMILES

CCN(CC)C1=C(C(=O)OC2=CC=CC=C21)C[NH+]3CCCC3

InChI

InChI=1S/C18H24N2O2/c1-3-20(4-2)17-14-9-5-6-10-16(14)22-18(21)15(17)13-19-11-7-8-12-19/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3/p+1