N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-indan-2-yl-2-[(2R)-3-oxo-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R)-3-oxo-1-(3-pyridinylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: N-indan-2-yl-2-[(2R)-3-keto-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]acetamide Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NC2CC3=CC=CC=C3C2)CC4=CN=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NC2CC3=CC=CC=C3C2)CC4=CN=CC=C4

InChI

InChI=1S/C21H24N4O2/c26-20(24-18-10-16-5-1-2-6-17(16)11-18)12-19-21(27)23-8-9-25(19)14-15-4-3-7-22-13-15/h1-7,13,18-19H,8-12,14H2,(H,23,27)(H,24,26)/p+1/t19-/m1/s1