4-(dimethylamino)-3-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4-(dimethylamino)-3-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-(dimethylamino)-3-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-(dimethylamino)-3-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-(dimethylamino)-3-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-(dimethylamino)-3-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C17H23N2O2+ MolecularWeight: 287.37672

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C(=O)OC2=CC=CC=C21)C[NH+]3CCCCC3

Isomeric SMILES

CN(C)C1=C(C(=O)OC2=CC=CC=C21)C[NH+]3CCCCC3

InChI

InChI=1S/C17H22N2O2/c1-18(2)16-13-8-4-5-9-15(13)21-17(20)14(16)12-19-10-6-3-7-11-19/h4-5,8-9H,3,6-7,10-12H2,1-2H3/p+1