4-(2-morpholin-4-ium-4-ylethylamino)-3-(phenylmethyl)chromen-2-one

Systemtic Name: 4-(2-morpholin-4-ium-4-ylethylamino)-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-4-(2-morpholin-4-ium-4-ylethylamino)chromen-2-one CAS Name: 4-[2-(4-morpholin-4-iumyl)ethylamino]-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-4-(2-morpholin-4-ium-4-ylethylamino)chromen-2-one Traditional Name: 3-benzyl-4-(2-morpholin-4-ium-4-ylethylamino)coumarin Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=C(C(=O)OC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCNC2=C(C(=O)OC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N2O3/c25-22-19(16-17-6-2-1-3-7-17)21(18-8-4-5-9-20(18)27-22)23-10-11-24-12-14-26-15-13-24/h1-9,23H,10-16H2/p+1