7-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-4-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C17H22NO2+ MolecularWeight: 272.36208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3)C

InChI

InChI=1S/C17H21NO2/c1-12-6-7-15-14(10-17(19)20-16(15)9-12)11-18-8-4-3-5-13(18)2/h6-7,9-10,13H,3-5,8,11H2,1-2H3/p+1/t13-/m0/s1