6-ethyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 6-ethyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 6-ethyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 6-ethyl-4-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 6-ethyl-4-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C17H22NO2+ MolecularWeight: 272.36208

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCCCC3

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCCCC3

InChI

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