4-(1,3-benzodioxol-5-ylmethylamino)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-(piperonylamino)-3-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C22H23N2O4+ MolecularWeight: 379.42902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C3=CC=CC=C3OC2=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C3=CC=CC=C3OC2=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22N2O4/c25-22-17(13-24-9-3-4-10-24)21(16-5-1-2-6-18(16)28-22)23-12-15-7-8-19-20(11-15)27-14-26-19/h1-2,5-8,11,23H,3-4,9-10,12-14H2/p+1