7-methyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 7-methyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 7-methyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 7-methyl-4-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7-methyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 7-methyl-4-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C16H20NO2+ MolecularWeight: 258.3355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCCC3

InChI

InChI=1S/C16H19NO2/c1-12-5-6-14-13(10-16(18)19-15(14)9-12)11-17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8,11H2,1H3/p+1