3-azanyl-4-(2-pyrrolidin-1-ium-1-ylethylamino)chromen-2-one

Systemtic Name: 3-azanyl-4-(2-pyrrolidin-1-ium-1-ylethylamino)chromen-2-one Openeye Name: 3-amino-4-(2-pyrrolidin-1-ium-1-ylethylamino)chromen-2-one CAS Name: 3-amino-4-[2-(1-pyrrolidin-1-iumyl)ethylamino]-1-benzopyran-2-one IUPAC Name: 3-amino-4-(2-pyrrolidin-1-ium-1-ylethylamino)chromen-2-one Traditional Name: 3-amino-4-(2-pyrrolidin-1-ium-1-ylethylamino)coumarin Formula: C15H20N3O2+ MolecularWeight: 274.3382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC2=C(C(=O)OC3=CC=CC=C32)N

Isomeric SMILES

C1CC[NH+](C1)CCNC2=C(C(=O)OC3=CC=CC=C32)N

InChI

InChI=1S/C15H19N3O2/c16-13-14(17-7-10-18-8-3-4-9-18)11-5-1-2-6-12(11)20-15(13)19/h1-2,5-6,17H,3-4,7-10,16H2/p+1