(2R)-N-(2-methoxydibenzofuran-3-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(2-methoxydibenzofuran-3-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(2-methoxydibenzofuran-3-yl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(2-methoxy-3-dibenzofuranyl)-2-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-(2-methoxydibenzofuran-3-yl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-2-(3-ketopiperazin-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)propionamide Formula: C20H22N3O4+ MolecularWeight: 368.40638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)[NH+]4CCNC(=O)C4

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)[NH+]4CCNC(=O)C4

InChI

InChI=1S/C20H21N3O4/c1-12(23-8-7-21-19(24)11-23)20(25)22-15-10-17-14(9-18(15)26-2)13-5-3-4-6-16(13)27-17/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,21,24)(H,22,25)/p+1/t12-/m1/s1