3-ethyl-4-methyl-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 3-ethyl-4-methyl-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 3-ethyl-7-hydroxy-4-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 3-ethyl-7-hydroxy-4-methyl-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 3-ethyl-7-hydroxy-4-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 3-ethyl-7-hydroxy-4-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C17H22NO3+ MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C(C=C2)O)C[NH+]3CCCC3)OC1=O)C

Isomeric SMILES

CCC1=C(C2=C(C(=C(C=C2)O)C[NH+]3CCCC3)OC1=O)C

InChI

InChI=1S/C17H21NO3/c1-3-12-11(2)13-6-7-15(19)14(16(13)21-17(12)20)10-18-8-4-5-9-18/h6-7,19H,3-5,8-10H2,1-2H3/p+1