2-[(2R)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]-N-(1-phenylcyclopropyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=CC=C2)NC(=O)CC3C(=O)NCC[NH+]3CC4=CN=CC=C4

Isomeric SMILES

C1CC1(C2=CC=CC=C2)NC(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=CN=CC=C4

InChI

InChI=1S/C21H24N4O2/c26-19(24-21(8-9-21)17-6-2-1-3-7-17)13-18-20(27)23-11-12-25(18)15-16-5-4-10-22-14-16/h1-7,10,14,18H,8-9,11-13,15H2,(H,23,27)(H,24,26)/p+1/t18-/m1/s1