4-butyl-2-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCCC3)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCCC3)[O-]

InChI

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