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

Systemtic Name: 4-(methylamino)-3-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-(methylamino)-3-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-(methylamino)-3-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-(methylamino)-3-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-(methylamino)-3-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)OC2=CC=CC=C21)C[NH+]3CCCCC3

Isomeric SMILES

CNC1=C(C(=O)OC2=CC=CC=C21)C[NH+]3CCCCC3

InChI

InChI=1S/C16H20N2O2/c1-17-15-12-7-3-4-8-14(12)20-16(19)13(15)11-18-9-5-2-6-10-18/h3-4,7-8,17H,2,5-6,9-11H2,1H3/p+1