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

Systemtic Name: 4-butyl-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-butyl-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-butyl-7-hydroxy-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-butyl-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-butyl-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C18H24NO3+ MolecularWeight: 302.38806

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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/p+1