4-butyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4-butyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-butyl-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-butyl-7-hydroxy-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-butyl-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-butyl-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C19H26NO3+ MolecularWeight: 316.41464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)O

InChI

InChI=1S/C19H25NO3/c1-2-3-7-14-12-18(22)23-19-15(14)8-9-17(21)16(19)13-20-10-5-4-6-11-20/h8-9,12,21H,2-7,10-11,13H2,1H3/p+1