2-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)-4-propyl-chromen-7-olate

Systemtic Name: 2-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)-4-propyl-chromen-7-olate Openeye Name: 2-oxo-8-(piperidin-1-ium-1-ylmethyl)-4-propyl-chromen-7-olate CAS Name: 2-oxo-8-(1-piperidin-1-iumylmethyl)-4-propyl-1-benzopyran-7-olate IUPAC Name: 2-oxo-8-(piperidin-1-ium-1-ylmethyl)-4-propylchromen-7-olate Traditional Name: 2-keto-8-(piperidin-1-ium-1-ylmethyl)-4-propyl-chromen-7-olate Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)[O-]

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)[O-]

InChI

InChI=1S/C18H23NO3/c1-2-6-13-11-17(21)22-18-14(13)7-8-16(20)15(18)12-19-9-4-3-5-10-19/h7-8,11,20H,2-6,9-10,12H2,1H3