N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-9H-xanthene-9-carboxamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-9H-xanthene-9-carboxamide CAS Name: N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-9H-xanthene-9-carboxamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-9H-xanthene-9-carboxamide Formula: C25H25N2O2+ MolecularWeight: 385.4782

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CC5=CC=CC=C5

InChI

InChI=1S/C25H24N2O2/c28-25(26-19-14-15-27(17-19)16-18-8-2-1-3-9-18)24-20-10-4-6-12-22(20)29-23-13-7-5-11-21(23)24/h1-13,19,24H,14-17H2,(H,26,28)/p+1/t19-/m1/s1