4-(methylamino)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4-(methylamino)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-(methylamino)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-(methylamino)-3-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-(methylamino)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-(methylamino)-3-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C15H19N2O2+ MolecularWeight: 259.32356

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)OC2=CC=CC=C21)C[NH+]3CCCC3

Isomeric SMILES

CNC1=C(C(=O)OC2=CC=CC=C21)C[NH+]3CCCC3

InChI

InChI=1S/C15H18N2O2/c1-16-14-11-6-2-3-7-13(11)19-15(18)12(14)10-17-8-4-5-9-17/h2-3,6-7,16H,4-5,8-10H2,1H3/p+1