4-chloranyl-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4-chloranyl-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-chloro-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-chloro-3-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-chloro-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-chloro-3-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C14H15ClNO2+ MolecularWeight: 264.7274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C3=CC=CC=C3OC2=O)Cl

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C3=CC=CC=C3OC2=O)Cl

InChI

InChI=1S/C14H14ClNO2/c15-13-10-5-1-2-6-12(10)18-14(17)11(13)9-16-7-3-4-8-16/h1-2,5-6H,3-4,7-9H2/p+1