3,4-dimethyl-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 3,4-dimethyl-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 7-hydroxy-3,4-dimethyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 7-hydroxy-3,4-dimethyl-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-3,4-dimethyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 7-hydroxy-3,4-dimethyl-8-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C16H20NO3+ MolecularWeight: 274.3349

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCC3)O)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCC3)O)C

InChI

InChI=1S/C16H19NO3/c1-10-11(2)16(19)20-15-12(10)5-6-14(18)13(15)9-17-7-3-4-8-17/h5-6,18H,3-4,7-9H2,1-2H3/p+1