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

Systemtic Name: 4-(diethylamino)-3-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-(diethylamino)-3-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-(diethylamino)-3-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-(diethylamino)-3-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-(diethylamino)-3-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C19H27N2O2+ MolecularWeight: 315.42988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O2/c1-3-21(4-2)18-15-10-6-7-11-17(15)23-19(22)16(18)14-20-12-8-5-9-13-20/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3/p+1